sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide

C72H67BrCl2IN14NaO9 — CID 160502326

About sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide

sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide (PubChem CID 160502326) has the molecular formula C72H67BrCl2IN14NaO9 and a molecular weight of 1573.12 g/mol. Its IUPAC name is sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide.

Molecular Properties

• Compound Name: sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide
• PubChem CID: 160502326
• Molecular Formula: C72H67BrCl2IN14NaO9
• Molecular Weight: 1573.12 g/mol
• Exact Mass: 1570.27
• IUPAC Name: sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide
• SMILES: CC1CCCN(CCn2c3ccccc3c3c2cc(C#N)c(=O)n3-c2ccc([N+](=O)[O-])cc2)C1.CC1CCCNC1.ClCCBr.I.N#Cc1cc2[nH]c3ccccc3c2n(-c2ccc([N+](=O)[O-])cc2)c1=O.N#Cc1cc2c(c3ccccc3n2CCCl)n(-c2ccc([N+](=O)[O-])cc2)c1=O.[H-].[Na+]
• InChI: InChI=1S/C26H25N5O3.C20H13ClN4O3.C18H10N4O3.C6H13N.C2H4BrCl.HI.Na.H/c1-18-5-4-12-28(17-18)13-14-29-23-7-3-2-6-22(23)25-24(29)15-19(16-27)26(32)30(25)20-8-10-21(11-9-20)31(33)34;21-9-10-23-17-4-2-1-3-16(17)19-18(23)11-13(12-22)20(26)24(19)14-5-7-15(8-6-14)25(27)28;19-10-11-9-16-17(14-3-1-2-4-15(14)20-16)21(18(11)23)12-5-7-13(8-6-12)22(24)25;1-6-3-2-4-7-5-6;3-1-2-4;;;/h2-3,6-11,15,18H,4-5,12-14,17H2,1H3;1-8,11H,9-10H2;1-9,20H;6-7H,2-5H2,1H3;1-2H2;1H;;/q;;;;;;+1;-1
• InChIKey: CPBPZEZPOWQGHA-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 307.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1573.12
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide?

The IUPAC name of sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide (CID 160502326) is sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide.

What is the SMILES notation for sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide?

The canonical SMILES for sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide is CC1CCCN(CCn2c3ccccc3c3c2cc(C#N)c(=O)n3-c2ccc([N+](=O)[O-])cc2)C1.CC1CCCNC1.ClCCBr.I.N#Cc1cc2[nH]c3ccccc3c2n(-c2ccc([N+](=O)[O-])cc2)c1=O.N#Cc1cc2c(c3ccccc3n2CCCl)n(-c2ccc([N+](=O)[O-])cc2)c1=O.[H-].[Na+].

What is the InChIKey of sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide?

The InChIKey is CPBPZEZPOWQGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3.C20H13ClN4O3.C18H10N4O3.C6H13N.C2H4BrCl.HI.Na.H/c1-18-5-4-12-28(17-18)13-14-29-23-7-3-2-6-22(23)25-24(29)15-19(16-27)26(32)30(25)20-8-10-21(11-9-20)31(33)34;21-9-10-23-17-4-2-1-3-16(17)19-18(23)11-13(12-22)20(26)24(19)14-5-7-15(8-6-14)25(27)28;19-10-11-9-16-17(14-3-1-2-4-15(14)20-16)21(18(11)23)12-5-7-13(8-6-12)22(24)25;1-6-3-2-4-7-5-6;3-1-2-4;;;/h2-3,6-11,15,18H,4-5,12-14,17H2,1H3;1-8,11H,9-10H2;1-9,20H;6-7H,2-5H2,1H3;1-2H2;1H;;/q;;;;;;+1;-1.

What are the key properties of sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide?

sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide has a molecular weight of 1573.12 g/mol, XLogP of 12.03, 12 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-bromo-2-chloroethane;5-(2-chloroethyl)-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;hydride;3-methylpiperidine;5-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile;1-(4-nitrophenyl)-2-oxo-5H-pyrido[3,2-b]indole-3-carbonitrile;hydroiodide is sourced from PubChem (CID 160502326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).