1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide

C18H17F3N4O — CID 31337743

IUPAC1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C18H17F3N4O/c1-11-15-9-13(10-23-16(15)25(2)24-11)17(26)22-8-7-12-3-5-14(6-4-12)18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,26)
InChIKeyCKQVBYFVROAYCW-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.27
Rot. Bonds4

About 1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide

1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 31337743) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID31337743
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C18H17F3N4O/c1-11-15-9-13(10-23-16(15)25(2)24-11)17(26)22-8-7-12-3-5-14(6-4-12)18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,26)
InChIKeyCKQVBYFVROAYCW-UHFFFAOYSA-N
XLogP3.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176503834
2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 37137967
N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78845162
1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119430925
N-[4-(2-hydroxyethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 110902184
N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 46566637
N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 99702094
N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 66168311
1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 139011634
1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 138026794
2-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 120533359
N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839498

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide (CID 31337743) is 1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of 1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is CKQVBYFVROAYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-11-15-9-13(10-23-16(15)25(2)24-11)17(26)22-8-7-12-3-5-14(6-4-12)18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,26).
What are the key properties of 1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 31337743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).