methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate

C17H16F3N3O3 — CID 84579904

IUPACmethyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(C)c2c1CCN(C(=O)c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C17H16F3N3O3/c1-22-13-9-23(8-7-11(13)14(21-22)16(25)26-2)15(24)10-5-3-4-6-12(10)17(18,19)20/h3-6H,7-9H2,1-2H3
InChIKeyNCLHFJFECADROX-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.42
Rot. Bonds2

About methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate

methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 84579904) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID84579904
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Namemethyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(C)c2c1CCN(C(=O)c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C17H16F3N3O3/c1-22-13-9-23(8-7-11(13)14(21-22)16(25)26-2)15(24)10-5-3-4-6-12(10)17(18,19)20/h3-6H,7-9H2,1-2H3
InChIKeyNCLHFJFECADROX-UHFFFAOYSA-N
XLogP2.42
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581846
methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84579484
[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 87050083
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821
methyl 2-(trifluoromethyl)benzoate
CID 2775578
methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84580825
methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
CID 155940039
(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone
CID 84582225
1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066939
(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157111803
methyl 6-[4-(trifluoromethyl)benzoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581682
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate (CID 84579904) is methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate is COC(=O)c1nn(C)c2c1CCN(C(=O)c1ccccc1C(F)(F)F)C2.
What is the InChIKey of methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is NCLHFJFECADROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-22-13-9-23(8-7-11(13)14(21-22)16(25)26-2)15(24)10-5-3-4-6-12(10)17(18,19)20/h3-6H,7-9H2,1-2H3.
What are the key properties of methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 367.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 84579904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).