57398408 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 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 17 7 7 7 7 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 18 19 19 20 20 21 22 22 23 23 24 25 26 26 27 27 28 29 28 6 12 41 13 14 19 12 21 26 18 21 7 8 30 9 31 32 10 33 34 11 35 36 11 37 38 39 40 18 15 42 43 16 44 45 17 46 47 17 48 49 50 51 20 22 23 24 25 27 24 52 25 53 54 55 28 56 29 57 29 58 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 2 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 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 2 5.855 10.1279 4.5981 5.5443 5.1871 5.4978 4.2086 4.8299 3.5408 3.8514 5.5443 10.6279 10.6279 11.6279 11.6279 12.1279 6.1279 9.1279 7.1279 4.5981 8.6279 8.6279 7.6279 7.6279 3.732 3.732 2.866 2.866 4.9945 6.0447 5.8803 3.6822 4.4399 5.3563 4.5987 2.9938 3.1582 3.8309 3.2376 6.4616 10.0453 10.7356 10.7356 10.0453 11.5202 12.2105 12.2105 11.5202 12.6029 12.6029 8.9379 8.9379 7.3179 7.3179 3.732 3.732 2.3291 -0.5972 0.1581 -1.5972 -1.0972 -2.4019 0.9024 1.8529 0.6961 2.5972 1.4404 2.391 -0.7925 -2.4632 -0.7312 -2.4632 -0.7312 -1.5972 -1.5972 -1.5972 -1.5972 -2.0972 -0.7312 -2.4632 -0.7312 -2.4632 -0.5972 -2.5972 -1.0972 -2.0972 0.313 1.5609 2.3408 0.3685 0.1209 2.9248 3.1724 1.7325 0.9525 3.0106 2.4783 0.2859 -2.6753 -3.0738 -0.1206 -0.5191 -3.0738 -2.6753 -0.5191 -0.1206 -1.9957 -1.1987 -0.1942 -3.0002 -0.1942 -3.0002 0.0228 -3.2172 -2.4072 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 12 19 19 20 20 21 22 23 26 27 28 12 21 26 18 21 18 22 23 24 25 27 24 25 28 29 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 511 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B80000400000000000000000000000001600000003C788100000000005801F000001C02100000000C2AC11F243DF09FCC1800A0033667640082802D3117A009D8A03876988868E2C19B91D42008689002C8C8271080800E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-N-cyclohexyl-2-[4-(1-piperidyl)phenyl]imidazo[1,2-a]pyridin-3-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-N-cyclohexyl-2-[4-(1-piperidinyl)phenyl]-3-imidazo[1,2-a]pyridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-<I>N</I>-cyclohexyl-2-(4-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-N-cyclohexyl-2-(4-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloranyl-N-cyclohexyl-2-(4-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [6-chloro-2-(4-piperidinophenyl)imidazo[1,2-a]pyridin-3-yl]-cyclohexyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H29ClN4/c25-19-11-14-22-27-23(24(29(22)17-19)26-20-7-3-1-4-8-20)18-9-12-21(13-10-18)28-15-5-2-6-16-28/h9-14,17,20,26H,1-8,15-16H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CYZCTDZJYYJZCE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 7.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 408.2080746 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H29ClN4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 409.0 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=C(C=C4)N5CCCCC5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=C(C=C4)N5CCCCC5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 32.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 408.2080746 29 0 0 0 0 0 0 0 1 -1