57490530 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 5 6 6 7 7 8 9 10 11 11 12 12 13 13 14 14 15 15 16 18 18 18 19 19 20 20 21 22 23 24 25 25 25 24 7 8 11 8 10 9 17 14 17 32 17 21 9 10 12 15 26 13 27 16 28 16 29 19 20 21 30 31 22 23 24 22 33 23 34 37 35 36 25 38 39 40 2 1 1 1 2 1 2 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 2 1 2 1 1 2 1 1 1 1 2 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 39 40 7.8314 3.732 4.6783 5.9674 7.2566 5.6103 4.6783 3.732 4.9889 5.2619 2.866 2.866 2 7.5673 4.3211 2 6.2781 8.1886 6.8994 8.5458 4.6318 7.2101 8.8564 8.4993 9.4778 5.8819 2.866 2.866 1.4631 3.7144 1.4631 7.6707 6.2928 8.9598 6.796 9.4631 4.2177 9.6056 10.0844 9.3499 4.3323 -2.8323 -4.137 -1.3708 -0.2141 0.324 -2.5276 -3.8323 -1.577 -3.3323 -2.3323 -4.3323 -2.8323 0.7364 -0.8327 -3.8323 -0.4203 2.6375 1.4807 0.9427 0.1178 2.4313 1.8932 3.588 3.7942 -3.3323 -1.7123 -4.9523 -2.5223 -0.9606 -4.1423 -0.6756 1.3529 0.4812 2.8927 2.021 0.5792 3.1875 3.9221 4.4009 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 4 4 6 6 7 8 9 11 12 13 14 14 15 18 18 19 20 7 8 11 8 10 9 17 17 21 10 12 15 13 16 16 19 20 21 22 23 22 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 465 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07BA0000000000000000000000000000001600000003C588000000000005801FC00001E00100000000C0CC19F043FF09FCC1800A803B677640082802D3512A009D8213874D88868F2C0DDD1942508689002C8C9A71889809E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-[[4-(3-imidazo[1,2-a]pyridinyl)-2-pyrimidinyl]amino]phenyl]ethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H15N5O/c1-13(25)14-5-7-15(8-6-14)22-19-20-10-9-16(23-19)17-12-21-18-4-2-3-11-24(17)18/h2-12H,1H3,(H,20,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FVKOYDYAUFBKQE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 329.12766012 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H15N5O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 329.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN=C4N3C=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN=C4N3C=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 72.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 329.12766012 25 0 0 0 0 0 0 0 1 -1