[3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide

C20H17ClN4O3S — CID 67483712

IUPAC[3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide
SMILESCc1ncc2c(=O)n(-c3ccc(Cl)cc3)[nH]c2c1-c1cccc(CS(N)(=O)=O)c1
InChIInChI=1S/C20H17ClN4O3S/c1-12-18(14-4-2-3-13(9-14)11-29(22,27)28)19-17(10-23-12)20(26)25(24-19)16-7-5-15(21)6-8-16/h2-10,24H,11H2,1H3,(H2,22,27,28)
InChIKeyPUUYCCSHVKRPDV-UHFFFAOYSA-N
MW428.90 g/mol
LogP3.13
Rot. Bonds4

About [3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide

[3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide (PubChem CID 67483712) has the molecular formula C20H17ClN4O3S and a molecular weight of 428.90 g/mol. Its IUPAC name is [3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide
PubChem CID67483712
Molecular FormulaC20H17ClN4O3S
Molecular Weight428.90 g/mol
Exact Mass428.07
IUPAC Name[3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide
SMILESCc1ncc2c(=O)n(-c3ccc(Cl)cc3)[nH]c2c1-c1cccc(CS(N)(=O)=O)c1
InChIInChI=1S/C20H17ClN4O3S/c1-12-18(14-4-2-3-13(9-14)11-29(22,27)28)19-17(10-23-12)20(26)25(24-19)16-7-5-15(21)6-8-16/h2-10,24H,11H2,1H3,(H2,22,27,28)
InChIKeyPUUYCCSHVKRPDV-UHFFFAOYSA-N
XLogP3.13
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide?
The IUPAC name of [3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide (CID 67483712) is [3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide.
What is the SMILES notation for [3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide?
The canonical SMILES for [3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide is Cc1ncc2c(=O)n(-c3ccc(Cl)cc3)[nH]c2c1-c1cccc(CS(N)(=O)=O)c1.
What is the InChIKey of [3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide?
The InChIKey is PUUYCCSHVKRPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3S/c1-12-18(14-4-2-3-13(9-14)11-29(22,27)28)19-17(10-23-12)20(26)25(24-19)16-7-5-15(21)6-8-16/h2-10,24H,11H2,1H3,(H2,22,27,28).
What are the key properties of [3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide?
[3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide has a molecular weight of 428.90 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 67483712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).