67107232 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 8 8 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 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 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 14 14 15 16 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 25 26 26 28 28 29 30 30 31 31 31 32 32 33 9 10 19 27 7 8 11 13 14 20 22 27 50 9 34 35 10 36 37 38 39 40 41 17 18 13 15 16 19 15 23 42 21 26 24 43 25 44 27 28 45 30 31 24 25 29 46 47 48 32 49 29 51 52 33 53 54 55 56 33 57 58 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 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 55 56 57 58 2.3107 7.6534 5.0286 3.6464 5.418 6.3177 3.957 2.6678 3.2892 2 4.3142 6.9478 6.3642 5.418 6.3642 7.9478 4.0035 5.2927 6.6749 4.552 8.4479 5.6499 4.552 4.6714 5.9605 8.4479 6.0071 3.686 3.686 9.4479 7.9478 9.4479 9.9479 4.3396 4.5039 2.8991 2.1415 3.0579 3.8155 1.6174 1.4531 6.5568 3.3969 5.4853 4.552 4.552 4.4788 6.5672 8.1378 6.9244 3.149 3.149 9.7578 8.4848 7.6378 7.4109 9.7578 10.5679 -4.7209 1.2336 0.9017 -3.2322 2.695 -0.255 -4.1828 -3.026 -4.9271 -3.7703 -2.488 3.195 2.3903 3.695 3.9998 3.195 -1.5374 -2.6942 1.4398 2.195 4.061 -0.9994 4.195 -0.7931 -1.9499 2.329 0.6955 2.695 3.695 4.061 4.9271 2.329 3.195 -4.6707 -3.8908 -2.4508 -2.6984 -5.5023 -5.2547 -3.2824 -4.0624 4.5891 -1.4096 -3.2835 1.575 4.815 -0.2038 -2.0777 1.7921 -0.3829 2.385 4.005 4.598 5.2371 5.464 4.6171 1.7921 3.195 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 5 11 11 12 12 14 14 16 16 17 18 20 21 22 22 23 26 28 30 32 13 14 20 17 18 13 15 15 23 21 26 24 25 28 30 24 25 29 32 29 33 33 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 686 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001600000003C788100000000005801F400001E00100000000C0CE19E063EC0B3CC1C00A803B577540082802037022008D821B864D80A20FAC0D5B1872108609400D8C9071889C09E80008000001000000001000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-morpholinophenyl)-2-[2-(o-tolyl)indolizin-3-yl]-2-oxo-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(2-methylphenyl)-3-indolizinyl]-N-[4-(4-morpholinyl)phenyl]-2-oxoacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(2-methylphenyl)indolizin-3-yl]-<I>N</I>-(4-morpholin-4-ylphenyl)-2-oxoacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(2-methylphenyl)indolizin-3-yl]-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(2-methylphenyl)indolizin-3-yl]-N-(4-morpholin-4-ylphenyl)-2-oxidanylidene-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-keto-N-(4-morpholinophenyl)-2-[2-(o-tolyl)indolizin-3-yl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C27H25N3O3/c1-19-6-2-3-8-23(19)24-18-22-7-4-5-13-30(22)25(24)26(31)27(32)28-20-9-11-21(12-10-20)29-14-16-33-17-15-29/h2-13,18H,14-17H2,1H3,(H,28,32) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZQFBNYIIBVREGS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 439.18959167 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C27H25N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 439.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CC=C1C2=C(N3C=CC=CC3=C2)C(=O)C(=O)NC4=CC=C(C=C4)N5CCOCC5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CC=C1C2=C(N3C=CC=CC3=C2)C(=O)C(=O)NC4=CC=C(C=C4)N5CCOCC5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 63 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 439.18959167 33 0 0 0 0 0 0 0 1 -1