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

C20H19F3N4O — CID 139011634

IUPAC1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NC3CC(c4cccc(C(F)(F)F)c4)C3)cc12
InChIInChI=1S/C20H19F3N4O/c1-11-17-9-14(10-24-18(17)27(2)26-11)19(28)25-16-7-13(8-16)12-4-3-5-15(6-12)20(21,22)23/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,25,28)
InChIKeyKPIXBDHWTUIGQA-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.97
Rot. Bonds3

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

1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 139011634) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID139011634
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NC3CC(c4cccc(C(F)(F)F)c4)C3)cc12
InChIInChI=1S/C20H19F3N4O/c1-11-17-9-14(10-24-18(17)27(2)26-11)19(28)25-16-7-13(8-16)12-4-3-5-15(6-12)20(21,22)23/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,25,28)
InChIKeyKPIXBDHWTUIGQA-UHFFFAOYSA-N
XLogP3.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43394642
1,3-dimethyl-N-(3-methylcyclopentyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 114549712
N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 139011629
1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31337743
1,3-dimethyl-N-[(1S)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 39999792
N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839498
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31339166
N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 154800554
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46585508
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942
1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide
CID 178166229
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide
CID 87918614

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide (CID 139011634) is 1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NC3CC(c4cccc(C(F)(F)F)c4)C3)cc12.
What is the InChIKey of 1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is KPIXBDHWTUIGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-11-17-9-14(10-24-18(17)27(2)26-11)19(28)25-16-7-13(8-16)12-4-3-5-15(6-12)20(21,22)23/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,25,28).
What are the key properties of 1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 139011634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).