(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone

C15H14F3N3O — CID 84582225

IUPAC(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone
SMILESCc1nn(C)c2c1CCN(C(=O)c1ccc(F)c(F)c1F)C2
InChIInChI=1S/C15H14F3N3O/c1-8-9-5-6-21(7-12(9)20(2)19-8)15(22)10-3-4-11(16)14(18)13(10)17/h3-4H,5-7H2,1-2H3
InChIKeyYVKICJXOZUBWIV-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.34
Rot. Bonds1

About (1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone

(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 84582225) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is (1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone
PubChem CID84582225
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone
SMILESCc1nn(C)c2c1CCN(C(=O)c1ccc(F)c(F)c1F)C2
InChIInChI=1S/C15H14F3N3O/c1-8-9-5-6-21(7-12(9)20(2)19-8)15(22)10-3-4-11(16)14(18)13(10)17/h3-4H,5-7H2,1-2H3
InChIKeyYVKICJXOZUBWIV-UHFFFAOYSA-N
XLogP2.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3,4-dichlorophenyl)-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone
CID 84580795
(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-pyridin-2-ylmethanone
CID 84582242
methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581846
methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84579904
3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl-(2,3,4-trifluorophenyl)methanone
CID 110647121
1H-pyrrol-3-yl-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]methanone
CID 110803209
(2,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110476783
(3,4-dihydroxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 106671138
piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119401952
(2-fluorophenyl)-[1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53019513
(3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 71836376
methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84579484

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone (CID 84582225) is (1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone is Cc1nn(C)c2c1CCN(C(=O)c1ccc(F)c(F)c1F)C2.
What is the InChIKey of (1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is YVKICJXOZUBWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-8-9-5-6-21(7-12(9)20(2)19-8)15(22)10-3-4-11(16)14(18)13(10)17/h3-4H,5-7H2,1-2H3.
What are the key properties of (1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone?
(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 309.29 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 84582225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).