1442508 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 16 8 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 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 11 12 12 13 14 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 23 24 24 26 27 28 28 29 29 30 27 30 26 7 13 42 13 15 17 14 15 25 26 51 8 9 31 10 32 33 11 34 35 12 36 37 12 38 39 40 41 14 16 18 20 21 19 43 22 44 22 45 23 46 24 47 48 25 49 25 50 27 28 29 52 30 53 54 1 1 2 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 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 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 11.3497 9.2619 4.9889 3.732 4.6783 9.2619 4.3211 4.6318 3.3426 3.9639 2.6747 2.9854 4.6783 5.2619 3.732 6.2619 2.866 2.866 2 6.7619 6.7619 2 7.7619 7.7619 8.2619 9.7619 10.7619 11.3497 12.3007 12.3007 4.1285 5.1787 5.0143 2.8162 3.5738 4.4903 3.7326 2.1278 2.2922 2.9648 2.3716 5.5956 2.866 2.866 1.4631 6.4519 6.4519 1.4631 8.0719 8.0719 9.5719 11.1581 12.8023 12.8023 -1.2882 -2.9632 0.5241 -0.7312 -2.0359 -1.2312 1.2684 2.2189 1.0622 2.9632 1.8065 2.757 -0.4264 -1.2312 -1.7312 -1.2312 -0.2312 -2.2312 -0.7312 -2.0972 -0.3651 -1.7312 -2.0972 -0.3651 -1.2312 -2.0972 -2.0972 -2.9062 -2.5972 -1.5972 0.6791 1.9269 2.7068 0.7345 0.4869 3.2908 3.5385 2.0985 1.3186 3.3766 2.8443 0.6519 0.3888 -2.8512 -0.4212 -2.6341 0.1718 -2.0412 -2.6341 0.1718 -0.6942 -3.4959 -2.9616 -1.2328 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 4 5 5 13 15 16 16 17 18 19 20 21 23 24 27 28 29 27 30 13 15 17 14 15 14 18 20 21 19 22 22 23 24 25 25 28 29 30 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 576 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BA0004000000000000000000000000001624000003C608000000000005801FC00001E04100000000C28C5DF04BDF19FCC1808AC03377774008380AD351AB049D8B93874D88868F2E09D91942108689402E8C9A71880800E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl]-2-thiophenecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H24N4OS/c29-24(20-9-6-16-30-20)26-19-13-11-17(12-14-19)22-23(25-18-7-2-1-3-8-18)28-15-5-4-10-21(28)27-22/h4-6,9-16,18,25H,1-3,7-8H2,(H,26,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NINQBDFAFZBRJS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 416.16708258 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H24N4OS Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 416.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)NC2=C(N=C3N2C=CC=C3)C4=CC=C(C=C4)NC(=O)C5=CC=CS5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)NC2=C(N=C3N2C=CC=C3)C4=CC=C(C=C4)NC(=O)C5=CC=CS5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 86.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 416.16708258 30 0 0 0 0 0 0 0 1 -1