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

C21H17FN4O — CID 134802539

IUPACN-benzyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3ccccc3)cc(-c3cccc(F)c3)nc21
InChIInChI=1S/C21H17FN4O/c1-26-20-18(13-24-26)17(21(27)23-12-14-6-3-2-4-7-14)11-19(25-20)15-8-5-9-16(22)10-15/h2-11,13H,12H2,1H3,(H,23,27)
InChIKeyRFSPVIBOSDOHDH-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.70
Rot. Bonds4

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

N-benzyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802539) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is N-benzyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802539
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC NameN-benzyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3ccccc3)cc(-c3cccc(F)c3)nc21
InChIInChI=1S/C21H17FN4O/c1-26-20-18(13-24-26)17(21(27)23-12-14-6-3-2-4-7-14)11-19(25-20)15-8-5-9-16(22)10-15/h2-11,13H,12H2,1H3,(H,23,27)
InChIKeyRFSPVIBOSDOHDH-UHFFFAOYSA-N
XLogP3.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-benzyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134802539) is N-benzyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCc3ccccc3)cc(-c3cccc(F)c3)nc21.
What is the InChIKey of N-benzyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RFSPVIBOSDOHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-26-20-18(13-24-26)17(21(27)23-12-14-6-3-2-4-7-14)11-19(25-20)15-8-5-9-16(22)10-15/h2-11,13H,12H2,1H3,(H,23,27).
What are the key properties of N-benzyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-benzyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).