6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H16F2N4O — CID 134801815

IUPAC6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3cccc(F)c3)cc(-c3ccccc3F)nc21
InChIInChI=1S/C21H16F2N4O/c1-27-20-17(12-25-27)16(10-19(26-20)15-7-2-3-8-18(15)23)21(28)24-11-13-5-4-6-14(22)9-13/h2-10,12H,11H2,1H3,(H,24,28)
InChIKeyLBYRSKTTXGOKMF-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.84
Rot. Bonds4

About 6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134801815) has the molecular formula C21H16F2N4O and a molecular weight of 378.38 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134801815
Molecular FormulaC21H16F2N4O
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC Name6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3cccc(F)c3)cc(-c3ccccc3F)nc21
InChIInChI=1S/C21H16F2N4O/c1-27-20-17(12-25-27)16(10-19(26-20)15-7-2-3-8-18(15)23)21(28)24-11-13-5-4-6-14(22)9-13/h2-10,12H,11H2,1H3,(H,24,28)
InChIKeyLBYRSKTTXGOKMF-UHFFFAOYSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134801815) is 6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCc3cccc(F)c3)cc(-c3ccccc3F)nc21.
What is the InChIKey of 6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LBYRSKTTXGOKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O/c1-27-20-17(12-25-27)16(10-19(26-20)15-7-2-3-8-18(15)23)21(28)24-11-13-5-4-6-14(22)9-13/h2-10,12H,11H2,1H3,(H,24,28).
What are the key properties of 6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134801815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).