3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide

C23H20F2N6O — CID 154685932

IUPAC3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1nc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)n[nH]1
InChIInChI=1S/C23H20F2N6O/c24-15-11-9-14(10-12-15)19-20(31(13-26-19)16-5-1-2-6-16)21-28-22(30-29-21)23(32)27-18-8-4-3-7-17(18)25/h3-4,7-13,16H,1-2,5-6H2,(H,27,32)(H,28,29,30)
InChIKeyARUYVBMQCMAMAR-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.98
Rot. Bonds5

About 3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide

3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 154685932) has the molecular formula C23H20F2N6O and a molecular weight of 434.45 g/mol. Its IUPAC name is 3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID154685932
Molecular FormulaC23H20F2N6O
Molecular Weight434.45 g/mol
Exact Mass434.17
IUPAC Name3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1nc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)n[nH]1
InChIInChI=1S/C23H20F2N6O/c24-15-11-9-14(10-12-15)19-20(31(13-26-19)16-5-1-2-6-16)21-28-22(30-29-21)23(32)27-18-8-4-3-7-17(18)25/h3-4,7-13,16H,1-2,5-6H2,(H,27,32)(H,28,29,30)
InChIKeyARUYVBMQCMAMAR-UHFFFAOYSA-N
XLogP4.98
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3'-cyclopentyl-N-(2-fluorophenyl)-5'-(4-fluorophenyl)-1H,3'H-[2,4'-biimidazole]-5-carboxamide
CID 155069000
N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 45912270
3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 57399794
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-1H-1,2,4-triazole-3-carboxamide
CID 118538934
N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide
CID 139349861
4-(trifluoromethyl)-N-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide
CID 139350900
N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
CID 139360579
1-{[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine
CID 16188415
1-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine
CID 16190576
US11718612, Example 11
CID 156138106
3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 90192039
5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1H-1,2,4-triazole-3-carboxamide
CID 130298986

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide (CID 154685932) is 3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccccc1F)c1nc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)n[nH]1.
What is the InChIKey of 3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ARUYVBMQCMAMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O/c24-15-11-9-14(10-12-15)19-20(31(13-26-19)16-5-1-2-6-16)21-28-22(30-29-21)23(32)27-18-8-4-3-7-17(18)25/h3-4,7-13,16H,1-2,5-6H2,(H,27,32)(H,28,29,30).
What are the key properties of 3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide?
3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 154685932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).