809037 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 8 7 7 7 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 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 12 13 14 14 15 15 16 16 17 17 18 19 19 20 20 21 21 21 22 22 23 23 25 25 25 24 25 5 11 37 11 13 14 12 13 6 7 26 8 27 28 9 29 30 10 31 32 10 33 34 35 36 12 15 16 17 38 19 20 18 39 18 21 40 22 41 23 42 43 44 45 24 46 24 47 48 49 50 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 2 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 2 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 41 42 43 44 45 46 47 48 49 50 10.1279 5.855 4.5981 5.5443 5.1871 5.4978 4.2086 4.8299 3.5408 3.8514 5.5443 6.1279 4.5981 3.732 7.1279 3.732 2.866 2.866 7.6279 7.6279 2 8.6279 8.6279 9.1279 10.6279 4.9945 6.0447 5.8803 3.6822 4.4399 5.3563 4.5987 2.9938 3.1582 3.8309 3.2376 6.4616 3.732 3.732 2.3291 7.3179 7.3179 2.31 1.4631 1.69 8.9379 8.9379 10.091 10.9379 11.1648 -1.5972 0.1581 -1.0972 -2.4019 0.9024 1.8529 0.6961 2.5972 1.4404 2.391 -0.7925 -1.5972 -2.0972 -0.5972 -1.5972 -2.5972 -1.0972 -2.0972 -2.4632 -0.7312 -0.5972 -2.4632 -0.7312 -1.5972 -2.4632 0.313 1.5609 2.3408 0.3685 0.1209 2.9248 3.1724 1.7325 0.9525 3.0106 2.4783 0.2859 0.0228 -3.2172 -2.4072 -3.0002 -0.1942 -0.0603 -0.2872 -1.1341 -3.0002 -0.1942 -2.7732 -3.0002 -2.1532 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 11 13 14 15 15 16 17 19 20 22 23 11 13 14 12 13 12 16 17 19 20 18 18 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 417 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 00000371E07B20000000000000000000000000000001600000003C608000000000005801F000001E00100000000C2CC19F063FB69FCC1C00A0033667640082882D3132A009D8A03E7C988C6EE2C4B99B9430286CD013C8E82790D0830E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-imidazo[1,2-a]pyridin-3-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-3-imidazo[1,2-a]pyridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-cyclohexyl-2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-imidazo[1,2-a]pyridin-3-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclohexyl-[2-(4-methoxyphenyl)-6-methyl-imidazo[1,2-a]pyridin-3-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H25N3O/c1-15-8-13-19-23-20(16-9-11-18(25-2)12-10-16)21(24(19)14-15)22-17-6-4-3-5-7-17/h8-14,17,22H,3-7H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VYZMYGNLFOTRQC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 335.199762429 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H25N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 335.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC=C(C=C4)OC)C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC=C(C=C4)OC)C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 335.199762429 25 0 0 0 0 0 0 0 1 -1