1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide

C15H14F3N5O — CID 138026794

IUPAC1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCn1nc(C(F)(F)F)c2cc(C(=O)NCCc3ccc[nH]3)cnc21
InChIInChI=1S/C15H14F3N5O/c1-23-13-11(12(22-23)15(16,17)18)7-9(8-21-13)14(24)20-6-4-10-3-2-5-19-10/h2-3,5,7-8,19H,4,6H2,1H3,(H,20,24)
InChIKeyUGLXFHIOAMMGLR-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.29
Rot. Bonds4

About 1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide

1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 138026794) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID138026794
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCn1nc(C(F)(F)F)c2cc(C(=O)NCCc3ccc[nH]3)cnc21
InChIInChI=1S/C15H14F3N5O/c1-23-13-11(12(22-23)15(16,17)18)7-9(8-21-13)14(24)20-6-4-10-3-2-5-19-10/h2-3,5,7-8,19H,4,6H2,1H3,(H,20,24)
InChIKeyUGLXFHIOAMMGLR-UHFFFAOYSA-N
XLogP2.29
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31337743
(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 138023282
3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176503834
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 175641659
1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119430925
N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78845162
2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 37137967
(2-tert-butyl-1,3-thiazol-5-yl)methyl 1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxylate
CID 166273161
2-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 120533359
N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 65031981
3-oxo-3-[2-(1H-pyrrol-2-yl)ethylamino]propanoic acid
CID 115163534
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917124

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide (CID 138026794) is 1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide is Cn1nc(C(F)(F)F)c2cc(C(=O)NCCc3ccc[nH]3)cnc21.
What is the InChIKey of 1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is UGLXFHIOAMMGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-23-13-11(12(22-23)15(16,17)18)7-9(8-21-13)14(24)20-6-4-10-3-2-5-19-10/h2-3,5,7-8,19H,4,6H2,1H3,(H,20,24).
What are the key properties of 1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide?
1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 337.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 138026794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).