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

C22H24N4O3S — CID 172834906

IUPAC6-methyl-1-(4-methylphenyl)sulfonyl-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2c(-c3cn(C(C)C)nc3C)cc3ccn(C)c(=O)c32)cc1
InChIInChI=1S/C22H24N4O3S/c1-14(2)25-13-19(16(4)23-25)20-12-17-10-11-24(5)22(27)21(17)26(20)30(28,29)18-8-6-15(3)7-9-18/h6-14H,1-5H3
InChIKeyWADOQNJRHWUEKL-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.64
Rot. Bonds4

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

6-methyl-1-(4-methylphenyl)sulfonyl-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one (PubChem CID 172834906) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 6-methyl-1-(4-methylphenyl)sulfonyl-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-1-(4-methylphenyl)sulfonyl-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one
PubChem CID172834906
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name6-methyl-1-(4-methylphenyl)sulfonyl-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2c(-c3cn(C(C)C)nc3C)cc3ccn(C)c(=O)c32)cc1
InChIInChI=1S/C22H24N4O3S/c1-14(2)25-13-19(16(4)23-25)20-12-17-10-11-24(5)22(27)21(17)26(20)30(28,29)18-8-6-15(3)7-9-18/h6-14H,1-5H3
InChIKeyWADOQNJRHWUEKL-UHFFFAOYSA-N
XLogP3.64
TPSA78.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylphenyl)sulfonyl-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-methyl-1-(4-methylphenyl)sulfonyl-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one (CID 172834906) is 6-methyl-1-(4-methylphenyl)sulfonyl-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-1-(4-methylphenyl)sulfonyl-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-methyl-1-(4-methylphenyl)sulfonyl-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one is Cc1ccc(S(=O)(=O)n2c(-c3cn(C(C)C)nc3C)cc3ccn(C)c(=O)c32)cc1.
What is the InChIKey of 6-methyl-1-(4-methylphenyl)sulfonyl-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is WADOQNJRHWUEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14(2)25-13-19(16(4)23-25)20-12-17-10-11-24(5)22(27)21(17)26(20)30(28,29)18-8-6-15(3)7-9-18/h6-14H,1-5H3.
What are the key properties of 6-methyl-1-(4-methylphenyl)sulfonyl-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one?
6-methyl-1-(4-methylphenyl)sulfonyl-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 424.53 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methylphenyl)sulfonyl-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 172834906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).