2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one

C73H80ClN13O5S — CID 161278043

About 2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one

2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 161278043) has the molecular formula C73H80ClN13O5S and a molecular weight of 1287.05 g/mol. Its IUPAC name is 2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

• Compound Name: 2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one
• PubChem CID: 161278043
• Molecular Formula: C73H80ClN13O5S
• Molecular Weight: 1287.05 g/mol
• Exact Mass: 1285.58
• IUPAC Name: 2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one
• SMILES: Cc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCNCC4)C3=O)c3ccccc32)cc1.N#Cc1ccnc(Cl)c1.N#Cc1ccnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)c1.O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCNCC2
• InChI: InChI=1S/C25H29N3O3S.C24H25N5O.C18H23N3O.C6H3ClN2/c1-19-7-9-21(10-8-19)32(30,31)28-18-20(22-5-2-3-6-23(22)28)17-27-16-4-11-25(24(27)29)12-14-26-15-13-25;25-15-18-6-10-26-22(14-18)28-12-8-24(9-13-28)7-3-11-29(23(24)30)17-19-16-27-21-5-2-1-4-20(19)21;22-17-18(7-9-19-10-8-18)6-3-11-21(17)13-14-12-20-16-5-2-1-4-15(14)16;7-6-3-5(4-8)1-2-9-6/h2-3,5-10,18,26H,4,11-17H2,1H3;1-2,4-6,10,14,16,27H,3,7-9,11-13,17H2;1-2,4-5,12,19-20H,3,6-11,13H2;1-3H
• InChIKey: VERWULUGMKTGML-UHFFFAOYSA-N
• XLogP: 11.79
• TPSA: 232.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1287.05
LogP ≤ 5	11.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one?

The IUPAC name of 2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one (CID 161278043) is 2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one.

What is the SMILES notation for 2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one?

The canonical SMILES for 2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one is Cc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCNCC4)C3=O)c3ccccc32)cc1.N#Cc1ccnc(Cl)c1.N#Cc1ccnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)c1.O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCNCC2.

What is the InChIKey of 2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one?

The InChIKey is VERWULUGMKTGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S.C24H25N5O.C18H23N3O.C6H3ClN2/c1-19-7-9-21(10-8-19)32(30,31)28-18-20(22-5-2-3-6-23(22)28)17-27-16-4-11-25(24(27)29)12-14-26-15-13-25;25-15-18-6-10-26-22(14-18)28-12-8-24(9-13-28)7-3-11-29(23(24)30)17-19-16-27-21-5-2-1-4-20(19)21;22-17-18(7-9-19-10-8-18)6-3-11-21(17)13-14-12-20-16-5-2-1-4-15(14)16;7-6-3-5(4-8)1-2-9-6/h2-3,5-10,18,26H,4,11-17H2,1H3;1-2,4-6,10,14,16,27H,3,7-9,11-13,17H2;1-2,4-5,12,19-20H,3,6-11,13H2;1-3H.

What are the key properties of 2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one?

2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 1287.05 g/mol, XLogP of 11.79, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 161278043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).