6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate

C19H11F3N3O3- — CID 7797406

IUPAC6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1nn(-c2ccccc2C(F)(F)F)c2nc(-c3ccco3)cc(C(=O)[O-])c12
InChIInChI=1S/C19H12F3N3O3/c1-10-16-11(18(26)27)9-13(15-7-4-8-28-15)23-17(16)25(24-10)14-6-3-2-5-12(14)19(20,21)22/h2-9H,1H3,(H,26,27)/p-1
InChIKeyCQFZMXBBDRUAHA-UHFFFAOYSA-M
MW386.31 g/mol
LogP3.37
Rot. Bonds3

About 6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate

6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 7797406) has the molecular formula C19H11F3N3O3- and a molecular weight of 386.31 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID7797406
Molecular FormulaC19H11F3N3O3-
Molecular Weight386.31 g/mol
Exact Mass386.08
IUPAC Name6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1nn(-c2ccccc2C(F)(F)F)c2nc(-c3ccco3)cc(C(=O)[O-])c12
InChIInChI=1S/C19H12F3N3O3/c1-10-16-11(18(26)27)9-13(15-7-4-8-28-15)23-17(16)25(24-10)14-6-3-2-5-12(14)19(20,21)22/h2-9H,1H3,(H,26,27)/p-1
InChIKeyCQFZMXBBDRUAHA-UHFFFAOYSA-M
XLogP3.37
TPSA83.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 5125639
[3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 2475261
3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 2423029
6-(furan-2-yl)-1,3-dimethyl-N-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609317
6-(furan-2-yl)-1,3-dimethyl-N-naphthalen-1-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620803
[1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 2382315
6-(furan-2-yl)-1,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55534254
azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 35184700
6-(furan-2-yl)-1,3-dimethyl-N-(4-methylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24627205
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55521268
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622496
N-[2,6-di(propan-2-yl)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620877

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of 6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate (CID 7797406) is 6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for 6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for 6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate is Cc1nn(-c2ccccc2C(F)(F)F)c2nc(-c3ccco3)cc(C(=O)[O-])c12.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is CQFZMXBBDRUAHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H12F3N3O3/c1-10-16-11(18(26)27)9-13(15-7-4-8-28-15)23-17(16)25(24-10)14-6-3-2-5-12(14)19(20,21)22/h2-9H,1H3,(H,26,27)/p-1.
What are the key properties of 6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate?
6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 386.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 7797406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).