1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C20H16FN5O3S — CID 45138010

IUPAC1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1
InChIInChI=1S/C20H16FN5O3S/c1-30(28,29)19-7-2-13(8-23-19)9-24-20(27)17-10-22-12-18-16(17)11-25-26(18)15-5-3-14(21)4-6-15/h2-8,10-12H,9H2,1H3,(H,24,27)
InChIKeyRKAXCCYDVZAIBG-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.29
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 45138010) has the molecular formula C20H16FN5O3S and a molecular weight of 425.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID45138010
Molecular FormulaC20H16FN5O3S
Molecular Weight425.45 g/mol
Exact Mass425.10
IUPAC Name1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1
InChIInChI=1S/C20H16FN5O3S/c1-30(28,29)19-7-2-13(8-23-19)9-24-20(27)17-10-22-12-18-16(17)11-25-26(18)15-5-3-14(21)4-6-15/h2-8,10-12H,9H2,1H3,(H,24,27)
InChIKeyRKAXCCYDVZAIBG-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-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 45138010) is 1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is RKAXCCYDVZAIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3S/c1-30(28,29)19-7-2-13(8-23-19)9-24-20(27)17-10-22-12-18-16(17)11-25-26(18)15-5-3-14(21)4-6-15/h2-8,10-12H,9H2,1H3,(H,24,27).
What are the key properties of 1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(6-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-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 45138010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).