4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one

C32H35N5O4S — CID 166456286

IUPAC4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2c(-c3cnn(C(C)C)c3)cc3c(-c4cc(=O)n(C)cc4C4CCCC4)cn(C)c(=O)c32)cc1
InChIInChI=1S/C32H35N5O4S/c1-20(2)36-17-23(16-33-36)29-14-26-28(25-15-30(38)34(4)18-27(25)22-8-6-7-9-22)19-35(5)32(39)31(26)37(29)42(40,41)24-12-10-21(3)11-13-24/h10-20,22H,6-9H2,1-5H3
InChIKeyMFQMSIYDECTZFL-UHFFFAOYSA-N
MW585.73 g/mol
LogP5.35
Rot. Bonds6

About 4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one

4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one (PubChem CID 166456286) has the molecular formula C32H35N5O4S and a molecular weight of 585.73 g/mol. Its IUPAC name is 4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one
PubChem CID166456286
Molecular FormulaC32H35N5O4S
Molecular Weight585.73 g/mol
Exact Mass585.24
IUPAC Name4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2c(-c3cnn(C(C)C)c3)cc3c(-c4cc(=O)n(C)cc4C4CCCC4)cn(C)c(=O)c32)cc1
InChIInChI=1S/C32H35N5O4S/c1-20(2)36-17-23(16-33-36)29-14-26-28(25-15-30(38)34(4)18-27(25)22-8-6-7-9-22)19-35(5)32(39)31(26)37(29)42(40,41)24-12-10-21(3)11-13-24/h10-20,22H,6-9H2,1-5H3
InChIKeyMFQMSIYDECTZFL-UHFFFAOYSA-N
XLogP5.35
TPSA100.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.73
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one (CID 166456286) is 4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one is Cc1ccc(S(=O)(=O)n2c(-c3cnn(C(C)C)c3)cc3c(-c4cc(=O)n(C)cc4C4CCCC4)cn(C)c(=O)c32)cc1.
What is the InChIKey of 4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is MFQMSIYDECTZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O4S/c1-20(2)36-17-23(16-33-36)29-14-26-28(25-15-30(38)34(4)18-27(25)22-8-6-7-9-22)19-35(5)32(39)31(26)37(29)42(40,41)24-12-10-21(3)11-13-24/h10-20,22H,6-9H2,1-5H3.
What are the key properties of 4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one?
4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 585.73 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyl-1-methyl-2-oxo-4-pyridinyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 166456286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).