1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide

C20H19F5N6O2 — CID 162574570

IUPAC1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide
SMILESCc1ccn(CCC(F)Cn2cc(C(=O)NCc3cncc(C(F)(F)F)c3)nn2)c(=O)c1F
InChIInChI=1S/C20H19F5N6O2/c1-12-2-4-30(19(33)17(12)22)5-3-15(21)10-31-11-16(28-29-31)18(32)27-8-13-6-14(9-26-7-13)20(23,24)25/h2,4,6-7,9,11,15H,3,5,8,10H2,1H3,(H,27,32)
InChIKeyLKTVIMRHSVIANH-UHFFFAOYSA-N
MW470.40 g/mol
LogP2.66
Rot. Bonds8

About 1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide

1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide (PubChem CID 162574570) has the molecular formula C20H19F5N6O2 and a molecular weight of 470.40 g/mol. Its IUPAC name is 1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide
PubChem CID162574570
Molecular FormulaC20H19F5N6O2
Molecular Weight470.40 g/mol
Exact Mass470.15
IUPAC Name1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide
SMILESCc1ccn(CCC(F)Cn2cc(C(=O)NCc3cncc(C(F)(F)F)c3)nn2)c(=O)c1F
InChIInChI=1S/C20H19F5N6O2/c1-12-2-4-30(19(33)17(12)22)5-3-15(21)10-31-11-16(28-29-31)18(32)27-8-13-6-14(9-26-7-13)20(23,24)25/h2,4,6-7,9,11,15H,3,5,8,10H2,1H3,(H,27,32)
InChIKeyLKTVIMRHSVIANH-UHFFFAOYSA-N
XLogP2.66
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide 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

N-[(2-fluoro-5-hydroxyphenyl)methyl]-1-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
CID 118640405
N-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
CID 146527466
5-[3-fluoro-4-[4-(2,2,2-trifluoroethylcarbamoyl)triazol-1-yl]butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 118640453
1-[4-[ethenyl-(2-fluoro-3-methylbut-2-enoyl)amino]-2-fluorobutyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide
CID 118638847
1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 158710662
1-[4-[4-[(2-cyclopentylacetyl)amino]-3-fluoro-2-oxo-1-pyridinyl]-2-fluorobutyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 118622281
2-[[3-fluoro-1-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-2-oxo-4-pyridinyl]amino]-2-hydroxyacetic acid
CID 162574576
N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
CID 154982576
1-[2-fluoro-4-[3-fluoro-2-oxo-4-[(2-piperidin-1-ylacetyl)amino]-1-pyridinyl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 118622393
1-[(2S)-2-fluoro-4-[3-fluoro-2-oxo-4-[(2-phenylacetyl)amino]-1-pyridinyl]butyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 118622223
1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-3-fluoro-2-oxo-1-pyridinyl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 118622540
1-[2-fluoro-4-[3-fluoro-4-[(2-imino-2-pyrrolidin-1-ylacetyl)amino]-2-oxo-1-pyridinyl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 144993163

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide (CID 162574570) is 1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide is Cc1ccn(CCC(F)Cn2cc(C(=O)NCc3cncc(C(F)(F)F)c3)nn2)c(=O)c1F.
What is the InChIKey of 1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide?
The InChIKey is LKTVIMRHSVIANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N6O2/c1-12-2-4-30(19(33)17(12)22)5-3-15(21)10-31-11-16(28-29-31)18(32)27-8-13-6-14(9-26-7-13)20(23,24)25/h2,4,6-7,9,11,15H,3,5,8,10H2,1H3,(H,27,32).
What are the key properties of 1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide?
1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide has a molecular weight of 470.40 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 162574570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).