2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

C18H15F3N4O2 — CID 146258492

IUPAC2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1c2cn(C3=CCCN=C3)nc2CCN1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)27-14-5-1-3-12(9-14)24-8-6-16-15(17(24)26)11-25(23-16)13-4-2-7-22-10-13/h1,3-5,9-11H,2,6-8H2
InChIKeyRRYAIGBLHPYANF-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.30
Rot. Bonds3

About 2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 146258492) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID146258492
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1c2cn(C3=CCCN=C3)nc2CCN1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)27-14-5-1-3-12(9-14)24-8-6-16-15(17(24)26)11-25(23-16)13-4-2-7-22-10-13/h1,3-5,9-11H,2,6-8H2
InChIKeyRRYAIGBLHPYANF-UHFFFAOYSA-N
XLogP3.30
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one 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

3-(1-Phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1h)-one
CID 46219578
N-(3-methoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850352
[4-(4-fluorophenyl)piperazino][1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanone
CID 2812819
(1-Benzyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 16323816
(3,5-Dimethyl-1-phenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 2608184
tert-butyl 4-{1-tert-butyl-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
CID 16023769
1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 33956487
1-(3-methoxyphenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 44327136
US11104680, Example 24
CID 131984818
US11104680, Example 29
CID 131984824
US11104680, Example 20
CID 131984825
US11104680, Example 18
CID 131984861

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 146258492) is 2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is O=C1c2cn(C3=CCCN=C3)nc2CCN1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is RRYAIGBLHPYANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c19-18(20,21)27-14-5-1-3-12(9-14)24-8-6-16-15(17(24)26)11-25(23-16)13-4-2-7-22-10-13/h1,3-5,9-11H,2,6-8H2.
What are the key properties of 2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 376.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 146258492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).