67908419 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 17 8 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 2 3 3 3 4 4 5 5 6 6 6 7 7 8 8 9 10 11 11 12 12 13 13 14 14 14 15 15 15 16 17 18 19 20 21 21 36 20 7 8 9 9 10 18 19 21 34 35 10 13 11 12 15 18 16 22 17 23 19 24 16 17 20 25 26 27 28 29 30 31 21 32 33 1 2 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 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 8.3516 3.79 3.2152 3.2152 0.5369 5.747 2.269 3.5259 3.7988 2.269 4.5044 2.858 1.403 4.1472 4.7988 4.815 3.1687 1.403 0.5369 4.4579 5.4364 4.9184 2.2514 1.403 4.7988 5.4188 4.7988 5.4217 2.7546 1.403 0 5.4569 6.0502 6.3537 5.333 9.3516 3.6728 6.9711 2.4247 0.8153 1.12 7.3836 2.12 3.3752 1.62 1.12 3.5815 4.1196 2.62 5.2763 1.62 4.532 5.0701 0.62 2.12 6.2268 6.433 3.12 3.9917 3.24 1 1.62 2.24 4.6598 5.5315 0 2.43 5.8134 6.3457 7.5114 7.845 3.6728 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 7 7 8 8 10 11 12 13 14 14 7 9 9 10 18 19 10 13 11 12 18 16 17 19 16 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 354 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073A0000400000000000000000000000001600000003C400000000000005801FC00001E00100000000C0CC19F043FD0B74C1000A803B677640082802D3512A009D8A1B874D88868F2C0DDD1942508688002C8C9A71889809E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;hydrochloride IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1-[4-(2-methyl-1-imidazo[4,5-c]pyridinyl)phenyl]ethanone;hydrochloride IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;hydrochloride IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;hydrochloride IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-azanyl-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;hydrochloride IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;hydrochloride InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H14N4O.ClH/c1-10-18-13-9-17-7-6-14(13)19(10)12-4-2-11(3-5-12)15(20)8-16;/h2-7,9H,8,16H2,1H3;1H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XKCLMOTXJUSXIO-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 302.0934388 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H15ClN4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 302.76 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NC2=C(N1C3=CC=C(C=C3)C(=O)CN)C=CN=C2.Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NC2=C(N1C3=CC=C(C=C3)C(=O)CN)C=CN=C2.Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 73.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 302.0934388 21 0 0 0 0 0 0 0 2 -1