24747026 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 7 7 7 7 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 4 4 4 5 6 6 6 7 8 9 9 10 10 11 11 13 13 13 14 14 15 15 16 16 16 17 17 18 18 19 5 6 7 7 8 5 11 12 33 34 8 9 20 21 13 10 14 15 12 22 12 16 23 24 25 17 26 18 27 28 29 30 19 31 19 32 35 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 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 6.0812 6.0812 4.269 2.5369 5.135 6.3919 6.6648 5.135 7.3704 4.269 3.403 3.403 7.6648 7.6811 8.0382 2.5369 8.6596 9.0168 9.3274 5.7781 6.3713 4.269 7.6648 8.2848 7.6648 7.267 7.8456 2.2269 2 2.8469 8.8522 9.4308 2.5369 2 9.9341 -0.0556 1.5538 -0.2509 1.7491 0.2491 -1.0062 0.7491 1.2491 -1.2124 1.7491 0.2491 1.2491 0.7491 -2.1629 -0.4681 -0.2509 -2.3691 -0.6743 -1.6248 -1.0935 -1.6258 2.3691 0.1291 0.7491 1.3691 -2.6244 0.1213 0.286 -0.5609 -0.7878 -2.9584 -0.2128 2.3691 1.4391 -1.7527 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 3 5 8 9 9 10 11 14 15 17 18 5 7 7 8 5 11 8 10 14 15 12 12 17 18 19 19 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 303 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07380000000000000000000000000000001600000003C400000000000005801FC00001C00100000000C08C11F0433F0BF4C1000A0032662640082802D2112A009D8203874988868E2C0D9D1942408689002C8C8271080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-benzyl-2,5-dimethyl-imidazo[4,5-b]pyridin-6-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,5-dimethyl-3-(phenylmethyl)-6-imidazo[4,5-b]pyridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,5-dimethyl-3-(phenylmethyl)imidazo[4,5-b]pyridin-6-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3-benzyl-2,5-dimethyl-imidazo[4,5-b]pyridin-6-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H16N4/c1-10-13(16)8-14-15(17-10)19(11(2)18-14)9-12-6-4-3-5-7-12/h3-8H,9,16H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PPZZGWPNQTVYCV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 252.137496527 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H16N4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 252.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC2=C(C=C1N)N=C(N2CC3=CC=CC=C3)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC2=C(C=C1N)N=C(N2CC3=CC=CC=C3)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 56.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 252.137496527 19 0 0 0 0 0 0 0 1 -1