1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C21H17FN4O3S — CID 59278123

IUPAC1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C21H17FN4O3S/c1-30(28,29)17-4-2-3-14(9-17)10-24-21(27)19-11-23-13-20-18(19)12-25-26(20)16-7-5-15(22)6-8-16/h2-9,11-13H,10H2,1H3,(H,24,27)
InChIKeyNOCJOZDXNWGPTN-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.89
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278123) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278123
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC Name1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C21H17FN4O3S/c1-30(28,29)17-4-2-3-14(9-17)10-24-21(27)19-11-23-13-20-18(19)12-25-26(20)16-7-5-15(22)6-8-16/h2-9,11-13H,10H2,1H3,(H,24,27)
InChIKeyNOCJOZDXNWGPTN-UHFFFAOYSA-N
XLogP2.89
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278123) is 1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CS(=O)(=O)c1cccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is NOCJOZDXNWGPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c1-30(28,29)17-4-2-3-14(9-17)10-24-21(27)19-11-23-13-20-18(19)12-25-26(20)16-7-5-15(22)6-8-16/h2-9,11-13H,10H2,1H3,(H,24,27).
What are the key properties of 1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).