68828416 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 8 7 7 7 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 2 3 3 3 4 4 4 5 5 6 6 7 7 8 8 9 10 10 11 12 12 13 13 13 14 14 16 16 17 18 18 18 19 19 19 20 20 21 22 22 23 11 15 6 8 12 13 15 28 21 23 7 11 9 10 9 14 24 20 21 15 16 25 18 19 26 17 27 17 29 30 31 32 33 34 35 36 22 37 38 23 39 40 2 2 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 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 5.9674 3.3426 3.732 4.6318 7.7619 4.6783 5.2619 3.732 4.6783 6.2619 4.9889 2.866 3.9639 2.866 4.3211 2 2 4.2746 2.9854 6.7619 6.7619 7.7619 8.2619 4.8709 2.866 3.7713 2.866 5.2384 1.4631 1.4631 3.6852 4.4672 4.8639 3.1133 2.3787 2.8575 6.4519 6.4519 8.0719 8.8819 0.111 -0.2209 1.5724 -1.3776 1.2064 1.2677 2.0724 2.5724 2.8772 2.0724 0.3172 1.0724 -2.1219 3.0724 -0.4271 1.5724 2.5724 -3.0724 -1.9157 2.9385 1.2064 2.9385 2.0724 3.4665 0.4524 -1.5326 3.6924 -1.5055 1.2624 2.8824 -3.2651 -3.6618 -2.8798 -1.309 -1.7878 -2.5224 3.4754 0.6695 3.4754 2.0724 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 5 5 6 7 8 8 10 10 12 14 16 20 22 6 8 12 21 23 7 9 9 14 20 21 16 17 17 22 23 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 452 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001600000002C580000000000005801F800001E00100000000C2CC19E043EC0B3CC1800A803B577540082802037022008D8A1B864D80820FAC0D5B1842108609600C8C9071889C09E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-isopropyl-2-oxo-2-[2-(3-pyridyl)indolizin-3-yl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-oxo-N-propan-2-yl-2-[2-(3-pyridinyl)-3-indolizinyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-oxo-<I>N</I>-propan-2-yl-2-(2-pyridin-3-ylindolizin-3-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-oxo-N-propan-2-yl-2-(2-pyridin-3-ylindolizin-3-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-oxidanylidene-N-propan-2-yl-2-(2-pyridin-3-ylindolizin-3-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-isopropyl-2-keto-2-[2-(3-pyridyl)indolizin-3-yl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H17N3O2/c1-12(2)20-18(23)17(22)16-15(13-6-5-8-19-11-13)10-14-7-3-4-9-21(14)16/h3-12H,1-2H3,(H,20,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VJENVRZGISXDRO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.132076794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H17N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)NC(=O)C(=O)C1=C(C=C2N1C=CC=C2)C3=CN=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)NC(=O)C(=O)C1=C(C=C2N1C=CC=C2)C3=CN=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 63.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.132076794 23 0 0 0 0 0 0 0 1 -1