1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone

C21H14F3N3O — CID 118663932

IUPAC1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C21H14F3N3O/c1-13(28)14-4-2-5-15(10-14)16-8-9-17-12-25-27(18(17)11-16)20-7-3-6-19(26-20)21(22,23)24/h2-12H,1H3
InChIKeyQVRQUHCGLMQBJF-UHFFFAOYSA-N
MW381.36 g/mol
LogP5.31
Rot. Bonds3

About 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone

1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone (PubChem CID 118663932) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone
PubChem CID118663932
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C21H14F3N3O/c1-13(28)14-4-2-5-15(10-14)16-8-9-17-12-25-27(18(17)11-16)20-7-3-6-19(26-20)21(22,23)24/h2-12H,1H3
InChIKeyQVRQUHCGLMQBJF-UHFFFAOYSA-N
XLogP5.31
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

B-Raf IN 1
CID 24884503
1-(4,6-dimethylpyrimidin-2-yl)-6-(3-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 16457556
N-(3-(3-(3-(2-(dimethylamino)ethyl)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880021
N-(3-(3-(4-(2-(dimethylamino)ethyl)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880077
N-(3-(3-(3-((dimethylamino)methyl)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880079
N-(3-(3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880107
N-(3-(3-(6-aminopyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880139
N-[(1,2-Dihydro-1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-(1-methylethyl)-6-[6-[4-(1-methylethyl)-1-piperazinyl]-3-pyridinyl]-1H-indazole-4-carboxamide
CID 91691116
3-({4-[(1,5-dimethyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138048
N-(2-(3-(trifluoromethyl)phenyl)-2H-pyrazolo[3,4-c]quinolin-4-yl)benzamide
CID 44570158
N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-3-(trifluoromethyl)benzamide
CID 44570196
N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-4-(trifluoromethyl)benzamide
CID 44570197

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone (CID 118663932) is 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone is CC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.
What is the InChIKey of 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone?
The InChIKey is QVRQUHCGLMQBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O/c1-13(28)14-4-2-5-15(10-14)16-8-9-17-12-25-27(18(17)11-16)20-7-3-6-19(26-20)21(22,23)24/h2-12H,1H3.
What are the key properties of 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone?
1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone has a molecular weight of 381.36 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone is sourced from PubChem (CID 118663932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).