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

C20H16FN5O3S — CID 59278235

IUPAC1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C20H16FN5O3S/c1-30(28,29)16-6-13(7-22-9-16)8-24-20(27)18-10-23-12-19-17(18)11-25-26(19)15-4-2-14(21)3-5-15/h2-7,9-12H,8H2,1H3,(H,24,27)
InChIKeyLCQJTLWUTZOTAZ-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.29
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278235) has the molecular formula C20H16FN5O3S and a molecular weight of 425.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278235
Molecular FormulaC20H16FN5O3S
Molecular Weight425.45 g/mol
Exact Mass425.10
IUPAC Name1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C20H16FN5O3S/c1-30(28,29)16-6-13(7-22-9-16)8-24-20(27)18-10-23-12-19-17(18)11-25-26(19)15-4-2-14(21)3-5-15/h2-7,9-12H,8H2,1H3,(H,24,27)
InChIKeyLCQJTLWUTZOTAZ-UHFFFAOYSA-N
XLogP2.29
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278235) is 1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CS(=O)(=O)c1cncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is LCQJTLWUTZOTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3S/c1-30(28,29)16-6-13(7-22-9-16)8-24-20(27)18-10-23-12-19-17(18)11-25-26(19)15-4-2-14(21)3-5-15/h2-7,9-12H,8H2,1H3,(H,24,27).
What are the key properties of 1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).