1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide

C14H9F3N4O — CID 150017906

IUPAC1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESNC(=O)c1ccc2cnn(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)9-2-1-3-10(6-9)21-13-8(7-19-21)4-5-11(20-13)12(18)22/h1-7H,(H2,18,22)
InChIKeyDEQMWAWXWBUHQN-UHFFFAOYSA-N
MW306.25 g/mol
LogP2.54
Rot. Bonds2

About 1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide

1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 150017906) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID150017906
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESNC(=O)c1ccc2cnn(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)9-2-1-3-10(6-9)21-13-8(7-19-21)4-5-11(20-13)12(18)22/h1-7H,(H2,18,22)
InChIKeyDEQMWAWXWBUHQN-UHFFFAOYSA-N
XLogP2.54
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate
CID 154461404
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 117232945
2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
CID 2380587
ethyl 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 54513433
propan-2-yl 1-(3-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 140814361
azocan-1-yl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 30766832
4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 115069398
2-(4-chlorophenyl)-5-hydroxypyridazin-3-one;5-hydroxy-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 158971239
N,5-dicyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51077946
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide (CID 150017906) is 1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide is NC(=O)c1ccc2cnn(-c3cccc(C(F)(F)F)c3)c2n1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is DEQMWAWXWBUHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-14(16,17)9-2-1-3-10(6-9)21-13-8(7-19-21)4-5-11(20-13)12(18)22/h1-7H,(H2,18,22).
What are the key properties of 1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide?
1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 306.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 150017906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).