1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide

C20H17FN4O2S — CID 46387142

IUPAC1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2c1c(=O)c(C(=O)NCc1cccs1)cn2C
InChIInChI=1S/C20H17FN4O2S/c1-12-17-18(26)16(19(27)22-10-15-4-3-9-28-15)11-24(2)20(17)25(23-12)14-7-5-13(21)6-8-14/h3-9,11H,10H2,1-2H3,(H,22,27)
InChIKeyZKUQROLBRNLRTA-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.16
Rot. Bonds4

About 1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide

1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 46387142) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID46387142
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC Name1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2c1c(=O)c(C(=O)NCc1cccs1)cn2C
InChIInChI=1S/C20H17FN4O2S/c1-12-17-18(26)16(19(27)22-10-15-4-3-9-28-15)11-24(2)20(17)25(23-12)14-7-5-13(21)6-8-14/h3-9,11H,10H2,1-2H3,(H,22,27)
InChIKeyZKUQROLBRNLRTA-UHFFFAOYSA-N
XLogP3.16
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide (CID 46387142) is 1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccc(F)cc2)c2c1c(=O)c(C(=O)NCc1cccs1)cn2C.
What is the InChIKey of 1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is ZKUQROLBRNLRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-12-17-18(26)16(19(27)22-10-15-4-3-9-28-15)11-24(2)20(17)25(23-12)14-7-5-13(21)6-8-14/h3-9,11H,10H2,1-2H3,(H,22,27).
What are the key properties of 1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide?
1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46387142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).