N-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide

C24H26F3N5O2 — CID 44764490

IUPACN-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCCC1c1nnc2c(C(F)(F)F)cccn12
InChIInChI=1S/C24H26F3N5O2/c1-15(2)14-18(28-22(33)16-8-4-3-5-9-16)23(34)31-12-7-11-19(31)21-30-29-20-17(24(25,26)27)10-6-13-32(20)21/h3-6,8-10,13,15,18-19H,7,11-12,14H2,1-2H3,(H,28,33)
InChIKeyLYVZSLSAEACDAU-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.26
Rot. Bonds6

About N-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide

N-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide (PubChem CID 44764490) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide
PubChem CID44764490
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC NameN-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCCC1c1nnc2c(C(F)(F)F)cccn12
InChIInChI=1S/C24H26F3N5O2/c1-15(2)14-18(28-22(33)16-8-4-3-5-9-16)23(34)31-12-7-11-19(31)21-30-29-20-17(24(25,26)27)10-6-13-32(20)21/h3-6,8-10,13,15,18-19H,7,11-12,14H2,1-2H3,(H,28,33)
InChIKeyLYVZSLSAEACDAU-UHFFFAOYSA-N
XLogP4.26
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 11576569
CID 11576569
3-(((4-Methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)methyl)amino)-N-(2-(trifluoromethyl)benzyl)benzamide
CID 11677079
N-cyclopropyl-3-fluoro-4-methyl-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
CID 25060878
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
6-(4-{(1S,2S)-2-Amino-1-[(dimethylamino)carbonyl]-3-[(3S)-3-fluoropyrrolidin-1-YL]-3-oxopropyl}phenyl)-1H-[1,2,4]triazolo[1,5-A]pyridin-4-ium
CID 10320144
(2s,3s)-3-Amino-4-(3,3-Difluoropyrrolidin-1-Yl)-N,N-Dimethyl-4-Oxo-2-(Trans-4-[1,2,4]triazolo[1,5-A]pyridin-6-Ylcyclohexyl)butanamide
CID 11554165
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
3-(3-Tert-Butyl[1,2,4]triazolo[4,3-A]pyridin-7-Yl)-N-Cyclopropyl-4-Methylbenzamide
CID 25059320
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776704
US10399985, Example 31
CID 118278223
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide?
The IUPAC name of N-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide (CID 44764490) is N-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide.
What is the SMILES notation for N-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide?
The canonical SMILES for N-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCCC1c1nnc2c(C(F)(F)F)cccn12.
What is the InChIKey of N-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide?
The InChIKey is LYVZSLSAEACDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-15(2)14-18(28-22(33)16-8-4-3-5-9-16)23(34)31-12-7-11-19(31)21-30-29-20-17(24(25,26)27)10-6-13-32(20)21/h3-6,8-10,13,15,18-19H,7,11-12,14H2,1-2H3,(H,28,33).
What are the key properties of N-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide?
N-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide has a molecular weight of 473.50 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-oxo-1-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]pentan-2-yl]benzamide is sourced from PubChem (CID 44764490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).