3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide

C24H19F4N5O — CID 167512016

IUPAC3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
SMILESCc1ccccc1Nc1ncc(-c2cnn(C)c2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H19F4N5O/c1-14-5-3-4-6-20(14)31-22-21(9-16(11-29-22)17-12-30-33(2)13-17)32-23(34)15-7-18(24(26,27)28)10-19(25)8-15/h3-13H,1-2H3,(H,29,31)(H,32,34)
InChIKeyYYPLQQPRMQGIAA-UHFFFAOYSA-N
MW469.44 g/mol
LogP5.94
Rot. Bonds5

About 3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide

3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide (PubChem CID 167512016) has the molecular formula C24H19F4N5O and a molecular weight of 469.44 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
PubChem CID167512016
Molecular FormulaC24H19F4N5O
Molecular Weight469.44 g/mol
Exact Mass469.15
IUPAC Name3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
SMILESCc1ccccc1Nc1ncc(-c2cnn(C)c2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H19F4N5O/c1-14-5-3-4-6-20(14)31-22-21(9-16(11-29-22)17-12-30-33(2)13-17)32-23(34)15-7-18(24(26,27)28)10-19(25)8-15/h3-13H,1-2H3,(H,29,31)(H,32,34)
InChIKeyYYPLQQPRMQGIAA-UHFFFAOYSA-N
XLogP5.94
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.44
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 167512259
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 167512267
1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide
CID 176509985
N-[2-(2-chloro-5-fluoroanilino)-5-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 167512051
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide
CID 167512349
N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide
CID 176509994
N-[(Z)-1,3-diaminoprop-2-enylidene]-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512132
6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide
CID 167512453
5-[(4-fluoro-3,5-dimethylbenzoyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512340
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-[(2-methyl-4-pyridinyl)amino]pyridine-3-carboxamide
CID 167512571
N-[5-(2-chloro-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166821970
3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide
CID 166822308

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide (CID 167512016) is 3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide is Cc1ccccc1Nc1ncc(-c2cnn(C)c2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide?
The InChIKey is YYPLQQPRMQGIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O/c1-14-5-3-4-6-20(14)31-22-21(9-16(11-29-22)17-12-30-33(2)13-17)32-23(34)15-7-18(24(26,27)28)10-19(25)8-15/h3-13H,1-2H3,(H,29,31)(H,32,34).
What are the key properties of 3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide?
3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide has a molecular weight of 469.44 g/mol, XLogP of 5.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 167512016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).