57390428 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 8 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 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 1 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 12 13 14 14 15 15 16 16 17 17 18 19 19 20 20 21 21 21 22 23 23 24 25 25 26 26 27 27 28 28 29 29 30 22 25 5 11 42 11 13 14 12 13 6 7 31 8 32 33 9 34 35 10 36 37 10 38 39 40 41 12 15 16 17 43 19 20 18 44 18 21 45 22 46 23 47 48 49 50 24 24 51 52 26 27 28 53 29 54 30 55 30 56 57 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 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 9.1279 5.855 4.5981 5.5443 5.1871 5.4978 4.2086 4.8299 3.5408 3.8514 5.5443 6.1279 4.5981 3.732 7.1279 3.732 2.866 2.866 7.6279 7.6279 2 8.6279 8.6279 9.1279 10.1279 10.6279 10.6279 11.6279 11.6279 12.1279 4.9945 6.0447 5.8803 3.6822 4.4399 5.3563 4.5987 2.9938 3.1582 3.8309 3.2376 6.4616 3.732 3.732 2.3291 7.3179 7.3179 2.31 1.4631 1.69 8.9379 9.7479 10.3179 10.3179 11.9379 11.9379 12.7479 -2.5302 0.9571 -0.2982 -1.6029 1.7014 2.6519 1.4952 3.3962 2.2395 3.19 0.0066 -0.7982 -1.2982 0.2018 -0.7982 -1.7982 -0.2982 -1.2982 -1.6642 0.0679 0.2018 -1.6642 0.0679 -0.7982 -2.5302 -1.6642 -3.3962 -1.6642 -3.3962 -2.5302 1.1121 2.3599 3.1398 1.1676 0.9199 3.7239 3.9715 2.5315 1.7516 3.8097 3.2774 1.085 0.8218 -2.4181 -1.6082 -2.2011 0.6048 0.7388 0.5118 -0.3351 0.6048 -0.7982 -1.1272 -3.9332 -1.1272 -3.9332 -2.5302 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 11 13 14 15 15 16 17 19 20 22 23 25 25 26 27 28 29 11 13 14 12 13 12 16 17 19 20 18 18 22 23 24 24 26 27 28 29 30 30 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 530 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B20000000000000000000000000000001600000003C60C100000000005801F400001E00100000000C2CC19F043FB69FCC1C00A0033667640082882D3132A009D8A03E7C988C6EE2C4B99B963828ECD013C8E827B0D0B20E00000100000000000000020000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclohexyl-6-methyl-2-(3-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclohexyl-6-methyl-2-(3-phenoxyphenyl)-3-imidazo[1,2-a]pyridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-cyclohexyl-6-methyl-2-(3-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclohexyl-6-methyl-2-(3-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclohexyl-6-methyl-2-(3-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 cyclohexyl-[6-methyl-2-(3-phenoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C26H27N3O/c1-19-15-16-24-28-25(26(29(24)18-19)27-21-10-4-2-5-11-21)20-9-8-14-23(17-20)30-22-12-6-3-7-13-22/h3,6-9,12-18,21,27H,2,4-5,10-11H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OFGQLONBOFCMBY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 7.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.215412493 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C26H27N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC(=CC=C4)OC5=CC=CC=C5)C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC(=CC=C4)OC5=CC=CC=C5)C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 38.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.215412493 30 0 0 0 0 0 0 0 1 -1