68828155 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 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 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 6 7 7 7 8 8 8 9 9 10 10 11 12 12 14 14 15 15 16 17 17 18 18 19 19 20 20 21 22 22 23 24 24 25 11 13 9 10 11 12 15 18 23 25 7 8 26 27 9 28 29 10 30 31 32 33 34 35 13 13 14 16 17 16 19 36 22 23 20 37 21 38 21 39 40 24 41 42 25 43 44 2 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 2 1 1 2 1 1 1 2 2 1 2 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 41 42 43 44 3.3426 5.9674 4.6318 3.732 7.7619 5.2531 4.2746 5.9209 3.9639 5.6103 4.3211 4.6783 4.9889 5.2619 3.732 4.6783 6.2619 2.866 2.866 2 2 6.7619 6.7619 7.7619 8.2619 5.0218 5.7794 3.6608 4.254 6.3035 6.4678 3.5814 3.417 6.2241 5.6308 4.8709 2.866 2.866 1.4631 1.4631 6.4519 6.4519 8.0719 8.8819 -0.1178 0.2141 -1.2745 1.6756 1.3095 -3.1756 -2.9693 -2.4313 -2.0188 -1.4807 -0.324 1.3708 0.4203 2.1756 2.6756 2.9803 2.1756 1.1756 3.1756 1.6756 2.6756 3.0416 1.3095 3.0416 2.1756 -3.7508 -3.5032 -3.0567 -3.589 -2.9192 -2.1392 -1.5309 -2.3108 -1.3934 -0.8611 3.5696 0.5556 3.7956 1.3656 2.9856 3.5785 0.7726 3.5785 2.1756 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 12 14 15 15 17 17 18 19 20 22 24 12 15 18 23 25 14 16 16 19 22 23 20 21 21 24 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 503 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001600000002C58B000000000005801F800001E00000000000C0CC19E043CC0B30C1800A803B577540082802037022008D821B864D80820FAC0D5B1842108608600C8C9071889C09E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1-piperidyl)-2-[2-(3-pyridyl)indolizin-3-yl]ethane-1,2-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1-piperidinyl)-2-[2-(3-pyridinyl)-3-indolizinyl]ethane-1,2-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-piperidin-1-yl-2-(2-pyridin-3-ylindolizin-3-yl)ethane-1,2-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-piperidin-1-yl-2-(2-pyridin-3-ylindolizin-3-yl)ethane-1,2-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-piperidin-1-yl-2-(2-pyridin-3-ylindolizin-3-yl)ethane-1,2-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-piperidino-2-[2-(3-pyridyl)indolizin-3-yl]ethane-1,2-dione InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H19N3O2/c24-19(20(25)22-10-3-1-4-11-22)18-17(15-7-6-9-21-14-15)13-16-8-2-5-12-23(16)18/h2,5-9,12-14H,1,3-4,10-11H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SVIOTSHMMBANNH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.147726857 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H19N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCN(CC1)C(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CN=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCN(CC1)C(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CN=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 54.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.147726857 25 0 0 0 0 0 0 0 1 -1