63312042 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 8 8 7 7 7 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 2 2 3 3 3 4 4 4 5 6 6 6 7 7 8 9 9 10 11 11 12 12 13 13 14 14 15 15 16 17 18 19 20 20 20 21 21 21 16 20 18 21 5 8 12 7 9 24 10 7 8 10 22 23 11 13 14 25 15 26 17 27 16 28 19 29 17 30 18 31 19 32 33 34 35 36 37 38 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 1 2 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 5.2531 7.2101 3.732 5.9674 4.6783 4.6783 4.9889 3.732 6.2781 5.2619 2.866 2.866 5.6103 7.2566 2 5.9209 2 6.8994 7.5673 5.5637 8.1886 4.9684 4.3751 6.3815 5.8819 2.866 2.866 5.0036 7.6707 1.4631 1.4631 8.1739 6.1531 5.7564 4.9744 8.3164 8.7953 8.0607 2.7003 3.1127 -3.1508 -0.6893 -3.4556 -1.8461 -0.8956 -2.1508 0.2612 -2.6508 -1.6508 -3.6508 1.0055 0.4674 -2.1508 1.956 -3.1508 2.1622 1.4179 3.6508 3.319 -0.2759 -0.8082 -1.1508 -2.6508 -1.0308 -4.2708 0.8776 0.0059 -1.8408 -3.4608 1.5458 3.4582 4.2401 3.8434 2.7123 3.4468 3.9256 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 5 6 6 8 9 9 11 12 13 14 15 16 18 5 8 12 10 8 10 11 13 14 15 17 16 19 17 18 19 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 329 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 00000371E07B30000000000000000000000000000001600000003C400000000000005801F000001E00180000000C0CC19E063EC6B2C81400A20334674400928C2031A22018D8A03EEC980D26E2C4F1DB84B42A66D819CAE807B0D0430C00400002000040000080000400008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-dimethoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-dimethoxy-N-(3-pyrazolo[1,5-a]pyridinylmethyl)aniline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-dimethoxy-<I>N</I>-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-dimethoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-dimethoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,4-dimethoxyphenyl)-(pyrazolo[1,5-a]pyridin-3-ylmethyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H17N3O2/c1-20-15-7-6-13(9-16(15)21-2)17-10-12-11-18-19-8-4-3-5-14(12)19/h3-9,11,17H,10H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QRWZDRMJLDINSR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 283.132076794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H17N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 283.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C(C=C1)NCC2=C3C=CC=CN3N=C2)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C(C=C1)NCC2=C3C=CC=CN3N=C2)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 47.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 283.132076794 21 0 0 0 0 0 0 0 1 -1