1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C14H12F3N3O — CID 114490507

IUPAC1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1ccc2cn[nH]c2c1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)11-3-5-20(6-4-11)13(21)9-1-2-10-8-18-19-12(10)7-9/h1-3,7-8H,4-6H2,(H,18,19)
InChIKeyLWTJRQQNUKCPJM-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.90
Rot. Bonds1

About 1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114490507) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114490507
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1ccc2cn[nH]c2c1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)11-3-5-20(6-4-11)13(21)9-1-2-10-8-18-19-12(10)7-9/h1-3,7-8H,4-6H2,(H,18,19)
InChIKeyLWTJRQQNUKCPJM-UHFFFAOYSA-N
XLogP2.90
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone 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

3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone
CID 115970007
(3-sulfanylphenyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 107036318
(3-amino-4-methylphenyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489206
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-indazol-6-yl)methanone
CID 60715121
(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 79038789
(4-amino-3-methylphenyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489265
1-(1H-indazole-6-carbonyl)piperidine-4-carboxamide
CID 60715180
[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 115772196
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 103357503
1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114539393
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 62906319
[4-(1-hydroxyethyl)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 106837074

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of 1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114490507) is 1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for 1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1ccc2cn[nH]c2c1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is LWTJRQQNUKCPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)11-3-5-20(6-4-11)13(21)9-1-2-10-8-18-19-12(10)7-9/h1-3,7-8H,4-6H2,(H,18,19).
What are the key properties of 1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 295.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114490507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).