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

C16H13F3N4O — CID 134802373

IUPACN-(2,2-difluoroethyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCC(F)F)cc(-c3cccc(F)c3)nc21
InChIInChI=1S/C16H13F3N4O/c1-23-15-12(7-21-23)11(16(24)20-8-14(18)19)6-13(22-15)9-3-2-4-10(17)5-9/h2-7,14H,8H2,1H3,(H,20,24)
InChIKeyYCZPXPRWKINSJG-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.77
Rot. Bonds4

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

N-(2,2-difluoroethyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802373) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802373
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC NameN-(2,2-difluoroethyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCC(F)F)cc(-c3cccc(F)c3)nc21
InChIInChI=1S/C16H13F3N4O/c1-23-15-12(7-21-23)11(16(24)20-8-14(18)19)6-13(22-15)9-3-2-4-10(17)5-9/h2-7,14H,8H2,1H3,(H,20,24)
InChIKeyYCZPXPRWKINSJG-UHFFFAOYSA-N
XLogP2.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134802373) is N-(2,2-difluoroethyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCC(F)F)cc(-c3cccc(F)c3)nc21.
What is the InChIKey of N-(2,2-difluoroethyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YCZPXPRWKINSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-23-15-12(7-21-23)11(16(24)20-8-14(18)19)6-13(22-15)9-3-2-4-10(17)5-9/h2-7,14H,8H2,1H3,(H,20,24).
What are the key properties of N-(2,2-difluoroethyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2,2-difluoroethyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).