1530 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 7 7 7 7 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 2 2 3 3 4 4 4 5 5 7 7 7 8 10 10 11 11 11 12 13 13 14 14 15 15 16 16 17 5 9 11 6 9 6 12 9 25 26 6 8 8 10 12 18 13 14 19 20 21 22 15 23 16 24 17 27 17 28 29 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 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 7.2764 7.2764 5.4641 8.86 6.3301 6.3301 4.5981 5.4641 7.86 3.732 7.587 4.5981 3.732 2.866 2.866 2 2 5.4641 8.1763 7.7796 6.9977 4.0611 4.269 2.866 9.17 9.17 2.866 1.4631 1.4631 0.0547 -1.5547 -1.75 -0.75 -0.25 -1.25 -0.25 0.25 -0.75 0.25 1.0052 -1.25 1.25 -0.25 1.75 0.25 1.25 0.87 0.8126 1.5946 1.1979 -1.56 1.56 -0.87 -1.2869 -0.2131 2.37 -0.06 1.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 3 5 5 7 7 10 10 13 14 15 16 5 9 6 9 6 12 6 8 8 12 13 14 15 16 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 264 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07380000000000000000000000000000001600000003C400000000000005801FC00001C00100000000C08C11F043FF0BF4C1000A0033667640082802D3112A009D8203874988868E2C09991942008688002C8C8271080C00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methyl-6-phenyl-imidazo[4,5-b]pyridin-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methyl-6-phenyl-2-imidazo[4,5-b]pyridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methyl-6-phenyl-imidazo[4,5-b]pyridin-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-methyl-6-phenyl-imidazo[4,5-b]pyridin-2-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UQVKZNNCIHJZLS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 224.106196400 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H12N4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 224.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 56.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 224.106196400 17 0 0 0 0 0 0 0 1 -1