58284980 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 9 9 10 11 11 12 13 14 14 15 15 16 16 17 17 18 19 19 20 21 21 23 23 24 24 25 25 26 26 27 29 29 29 30 30 30 31 31 31 32 32 32 20 30 22 31 28 8 10 13 10 14 12 13 28 29 47 9 33 34 11 35 36 12 16 17 15 37 18 19 18 38 20 39 21 40 41 23 24 22 22 42 25 43 26 44 27 28 27 45 46 32 48 49 50 51 52 53 54 55 56 57 58 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 8.7172 10.6742 4.5981 8.1424 6.3301 8.1424 2.866 8.453 9.4315 7.1962 9.7422 7.1962 8.726 5.4641 6.3301 9.0744 10.7207 5.4641 4.5981 9.385 11.0314 10.3635 4.5981 3.732 3.732 2.866 2.866 3.732 2.866 9.0278 11.6527 2 7.8392 8.4325 10.0454 9.4521 9.346 6.3301 8.4677 11.1348 4.9272 11.638 5.135 3.732 2.3291 2.3291 2.3291 3.0781 3.4766 8.4385 9.2204 9.6172 11.5248 12.2594 11.7806 1.69 1.4631 2.31 -2.7003 -3.1127 -1.3492 1.8461 1.6508 3.4556 -1.3492 0.8956 0.6893 2.1508 -0.2612 3.1508 2.6508 2.1508 3.6508 -1.0055 -0.4674 3.1508 1.6508 -1.956 -1.4179 -2.1622 0.6508 2.1508 0.1508 1.6508 0.6508 -0.8492 -2.3492 -3.6508 -3.319 -2.8492 0.8082 0.2759 0.7767 1.309 2.6508 4.2708 -0.8776 -0.0059 3.4608 -1.5458 0.3408 2.7708 1.9608 0.3408 -1.0392 -2.9318 -2.2415 -3.8434 -4.2401 -3.4582 -3.9256 -3.4468 -2.7123 -2.3122 -3.1592 -3.3861 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 10 11 11 12 14 15 16 17 19 19 20 21 23 24 25 26 10 13 10 14 12 13 12 16 17 15 18 18 20 21 23 24 22 22 25 26 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 606 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0000000000000000000000000000001600000003C608000000000005801FC00001E00100000000C0CC19F0637F6BFCC1400A8032773740082882D3532A009D8A13EFCD88D6EF2C4BD9B94312A6CD613CAE9A798D9F29E20000300000040004000060000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]-N-ethyl-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-imidazo[4,5-b]pyridinyl]-N-ethylbenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]-<I>N</I>-ethylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]-N-ethylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]-N-ethyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-ethyl-3-(3-homoveratrylimidazo[4,5-b]pyridin-5-yl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C25H26N4O3/c1-4-26-25(30)19-7-5-6-18(15-19)20-9-10-21-24(28-20)29(16-27-21)13-12-17-8-11-22(31-2)23(14-17)32-3/h5-11,14-16H,4,12-13H2,1-3H3,(H,26,30) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LRZJNGCWSCCYKN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 430.20049070 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C25H26N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 430.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCNC(=O)C1=CC=CC(=C1)C2=NC3=C(C=C2)N=CN3CCC4=CC(=C(C=C4)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCNC(=O)C1=CC=CC(=C1)C2=NC3=C(C=C2)N=CN3CCC4=CC(=C(C=C4)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 78.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 430.20049070 32 0 0 0 0 0 0 0 1 -1