67311552 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 8 7 7 7 7 7 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 2 2 2 3 3 4 4 5 5 6 6 6 7 7 8 8 9 9 9 10 11 12 12 13 13 14 15 16 17 17 18 18 19 19 21 21 22 23 23 24 24 25 20 7 10 15 14 15 11 16 10 22 20 39 40 8 11 9 13 12 26 27 14 20 17 18 16 28 19 29 30 23 31 24 32 21 33 22 34 35 25 36 25 37 38 2 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 2 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 36 37 38 39 40 7.2962 5.6499 5.6499 7.2497 3.8376 8.5854 5.9605 5.2927 4.3142 4.7037 6.939 3.6464 5.6034 4.7037 6.2335 6.5819 3.957 2.6678 3.8376 7.6069 2.9716 2.9716 3.2892 2 2.3107 4.5454 3.7878 5.1893 6.8535 6.7745 4.5637 2.4752 3.8376 2.4347 2.4347 3.4818 1.3933 1.8966 8.9995 8.778 1.5996 1.0615 2.671 -1.0458 0.8662 0.4428 0.111 -0.6333 -0.4271 1.3662 -0.0952 -1.1714 -1.5838 2.3662 1.8662 -1.7901 -2.1219 -0.9652 2.8662 0.6491 2.3662 1.3662 -2.8662 -1.7095 -2.66 0.1481 -0.0995 -2.0453 1.8662 -2.3794 -2.2498 -0.3759 3.4862 2.6762 1.0562 -3.4556 -1.5816 -3.1215 0.9043 -0.1465 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 5 5 7 7 8 10 12 12 13 14 17 18 19 21 23 24 10 15 14 15 11 16 10 22 8 11 13 14 17 18 16 19 23 24 21 22 25 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 467 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07BA0000000000000000000000000000001600000003C588000000000005801FE00001E00100000000C08C19F043DF0BF4C1000A8033777740082802D3712A009D821B874D88868FAC0DDB1942188688002C8C9671888C08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-benzyl-3-imidazo[4,5-b]pyridin-3-yl-pyridine-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-imidazo[4,5-b]pyridinyl)-4-(phenylmethyl)-2-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-benzyl-3-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-benzyl-3-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-imidazo[4,5-b]pyridin-3-yl-4-(phenylmethyl)pyridine-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-benzyl-3-imidazo[4,5-b]pyridin-3-yl-picolinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H15N5O/c20-18(25)16-17(24-12-23-15-7-4-9-22-19(15)24)14(8-10-21-16)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,20,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XZVOASOHBBWFJS-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 2021.05.07 329.12766012 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H15N5O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)CC2=C(C(=NC=C2)C(=O)N)N3C=NC4=C3N=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)CC2=C(C(=NC=C2)C(=O)N)N3C=NC4=C3N=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 86.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.12766012 25 0 0 0 0 0 0 0 1 -1