2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide

C17H10F6N4O — CID 89264079

IUPAC2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide
SMILESCc1c(-c2ccc(NC(=O)c3c(F)ccc(F)c3F)nc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C17H10F6N4O/c1-7-14(26-27-15(7)17(21,22)23)8-2-5-11(24-6-8)25-16(28)12-9(18)3-4-10(19)13(12)20/h2-6H,1H3,(H,26,27)(H,24,25,28)
InChIKeyINZMUYSNDGQUCF-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.47
Rot. Bonds3

About 2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide

2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide (PubChem CID 89264079) has the molecular formula C17H10F6N4O and a molecular weight of 400.28 g/mol. Its IUPAC name is 2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide
PubChem CID89264079
Molecular FormulaC17H10F6N4O
Molecular Weight400.28 g/mol
Exact Mass400.08
IUPAC Name2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide
SMILESCc1c(-c2ccc(NC(=O)c3c(F)ccc(F)c3F)nc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C17H10F6N4O/c1-7-14(26-27-15(7)17(21,22)23)8-2-5-11(24-6-8)25-16(28)12-9(18)3-4-10(19)13(12)20/h2-6H,1H3,(H,26,27)(H,24,25,28)
InChIKeyINZMUYSNDGQUCF-UHFFFAOYSA-N
XLogP4.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide 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

2,3,6-trifluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide
CID 118010169
2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115875333
2,6-difluoro-N-[5-(5-methyl-1H-indazol-6-yl)-2-pyridinyl]benzamide
CID 58487264
2-chloro-3-fluorobenzoyl chloride;dichloromethane;5-(2,5-dimethyl-1,3-oxazol-4-yl)pyridin-2-amine;N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]-2,3,6-trifluorobenzamide
CID 161404986
N-[5-(2,2-dihydroxy-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123737988
N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 82814313
N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,3,6-trifluorobenzamide
CID 118009659
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
CID 104616117
methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
CID 24775151
2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69069464
2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide
CID 58487193
2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide
CID 118009630

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide (CID 89264079) is 2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide is Cc1c(-c2ccc(NC(=O)c3c(F)ccc(F)c3F)nc2)n[nH]c1C(F)(F)F.
What is the InChIKey of 2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide?
The InChIKey is INZMUYSNDGQUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N4O/c1-7-14(26-27-15(7)17(21,22)23)8-2-5-11(24-6-8)25-16(28)12-9(18)3-4-10(19)13(12)20/h2-6H,1H3,(H,26,27)(H,24,25,28).
What are the key properties of 2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide?
2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide has a molecular weight of 400.28 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trifluoro-N-[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 89264079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).