6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C17H17FN4O — CID 134801041

IUPAC6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc(F)cc2)nc2c1cnn2C
InChIInChI=1S/C17H17FN4O/c1-10(2)20-17(23)13-8-15(11-4-6-12(18)7-5-11)21-16-14(13)9-19-22(16)3/h4-10H,1-3H3,(H,20,23)
InChIKeyZQLWVNRNIGHQJX-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.91
Rot. Bonds3

About 6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134801041) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134801041
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc(F)cc2)nc2c1cnn2C
InChIInChI=1S/C17H17FN4O/c1-10(2)20-17(23)13-8-15(11-4-6-12(18)7-5-11)21-16-14(13)9-19-22(16)3/h4-10H,1-3H3,(H,20,23)
InChIKeyZQLWVNRNIGHQJX-UHFFFAOYSA-N
XLogP2.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134801041) is 6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)NC(=O)c1cc(-c2ccc(F)cc2)nc2c1cnn2C.
What is the InChIKey of 6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZQLWVNRNIGHQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-10(2)20-17(23)13-8-15(11-4-6-12(18)7-5-11)21-16-14(13)9-19-22(16)3/h4-10H,1-3H3,(H,20,23).
What are the key properties of 6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-methyl-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134801041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).