6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H16ClFN4O — CID 134791663

IUPAC6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3cccc(F)c3)cc(-c3ccc(Cl)cc3)nc21
InChIInChI=1S/C21H16ClFN4O/c1-27-20-18(12-25-27)17(10-19(26-20)14-5-7-15(22)8-6-14)21(28)24-11-13-3-2-4-16(23)9-13/h2-10,12H,11H2,1H3,(H,24,28)
InChIKeyUZJQRHXHRJVLKE-UHFFFAOYSA-N
MW394.84 g/mol
LogP4.36
Rot. Bonds4

About 6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134791663) has the molecular formula C21H16ClFN4O and a molecular weight of 394.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134791663
Molecular FormulaC21H16ClFN4O
Molecular Weight394.84 g/mol
Exact Mass394.10
IUPAC Name6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3cccc(F)c3)cc(-c3ccc(Cl)cc3)nc21
InChIInChI=1S/C21H16ClFN4O/c1-27-20-18(12-25-27)17(10-19(26-20)14-5-7-15(22)8-6-14)21(28)24-11-13-3-2-4-16(23)9-13/h2-10,12H,11H2,1H3,(H,24,28)
InChIKeyUZJQRHXHRJVLKE-UHFFFAOYSA-N
XLogP4.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134791663) is 6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCc3cccc(F)c3)cc(-c3ccc(Cl)cc3)nc21.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UZJQRHXHRJVLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O/c1-27-20-18(12-25-27)17(10-19(26-20)14-5-7-15(22)8-6-14)21(28)24-11-13-3-2-4-16(23)9-13/h2-10,12H,11H2,1H3,(H,24,28).
What are the key properties of 6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 394.84 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134791663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).