3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide

C26H26FN7O — CID 175026204

IUPAC3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide
SMILESCc1cc(F)c(NC(=O)c2ncccc2-c2nncn2C2CCCC2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C26H26FN7O/c1-16-11-20(27)21(12-23(16)33-13-22(29-14-33)17-8-9-17)31-26(35)24-19(7-4-10-28-24)25-32-30-15-34(25)18-5-2-3-6-18/h4,7,10-15,17-18H,2-3,5-6,8-9H2,1H3,(H,31,35)
InChIKeyVOVNDBSLJBEKHT-UHFFFAOYSA-N
MW471.54 g/mol
LogP5.22
Rot. Bonds6

About 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide

3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide (PubChem CID 175026204) has the molecular formula C26H26FN7O and a molecular weight of 471.54 g/mol. Its IUPAC name is 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide
PubChem CID175026204
Molecular FormulaC26H26FN7O
Molecular Weight471.54 g/mol
Exact Mass471.22
IUPAC Name3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide
SMILESCc1cc(F)c(NC(=O)c2ncccc2-c2nncn2C2CCCC2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C26H26FN7O/c1-16-11-20(27)21(12-23(16)33-13-22(29-14-33)17-8-9-17)31-26(35)24-19(7-4-10-28-24)25-32-30-15-34(25)18-5-2-3-6-18/h4,7,10-15,17-18H,2-3,5-6,8-9H2,1H3,(H,31,35)
InChIKeyVOVNDBSLJBEKHT-UHFFFAOYSA-N
XLogP5.22
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide
CID 139581198
N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CID 134533118
[8-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-5-yl]methyl hypobromite
CID 153353105
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[(6S)-6-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-8-yl]benzamide
CID 139581301
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide
CID 161018383
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(fluoromethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide
CID 139581355
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 71245288
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[(5S)-5-methyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]benzamide;methane
CID 157263686
methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate
CID 130343964
N-[(5R)-5-cyclopropyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide
CID 139581271
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[4-[(2S)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 71245263
(E)-but-2-enedioic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 121439236

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide (CID 175026204) is 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide is Cc1cc(F)c(NC(=O)c2ncccc2-c2nncn2C2CCCC2)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide?
The InChIKey is VOVNDBSLJBEKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O/c1-16-11-20(27)21(12-23(16)33-13-22(29-14-33)17-8-9-17)31-26(35)24-19(7-4-10-28-24)25-32-30-15-34(25)18-5-2-3-6-18/h4,7,10-15,17-18H,2-3,5-6,8-9H2,1H3,(H,31,35).
What are the key properties of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide?
3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 175026204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).