5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

C24H20F2N6O — CID 146282499

IUPAC5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESCc1cccc(-c2nnc(C3CC(NC(=O)c4ccc(F)cn4)C3)n2-c2ccccc2F)n1
InChIInChI=1S/C24H20F2N6O/c1-14-5-4-7-19(28-14)23-31-30-22(32(23)21-8-3-2-6-18(21)26)15-11-17(12-15)29-24(33)20-10-9-16(25)13-27-20/h2-10,13,15,17H,11-12H2,1H3,(H,29,33)
InChIKeyBVKOWESRQTZUCM-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.99
Rot. Bonds5

About 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 146282499) has the molecular formula C24H20F2N6O and a molecular weight of 446.46 g/mol. Its IUPAC name is 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
PubChem CID146282499
Molecular FormulaC24H20F2N6O
Molecular Weight446.46 g/mol
Exact Mass446.17
IUPAC Name5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESCc1cccc(-c2nnc(C3CC(NC(=O)c4ccc(F)cn4)C3)n2-c2ccccc2F)n1
InChIInChI=1S/C24H20F2N6O/c1-14-5-4-7-19(28-14)23-31-30-22(32(23)21-8-3-2-6-18(21)26)15-11-17(12-15)29-24(33)20-10-9-16(25)13-27-20/h2-10,13,15,17H,11-12H2,1H3,(H,29,33)
InChIKeyBVKOWESRQTZUCM-UHFFFAOYSA-N
XLogP3.99
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-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

3-(((4-Methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)methyl)amino)-N-(2-(trifluoromethyl)benzyl)benzamide
CID 11677079
Takeda103A
CID 11155477
7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
CID 146277109
7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CID 146277122
7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CID 146277125
N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CID 146282333
N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
CID 58102999
2-[(1S)-1-[[6-amino-5-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 134157628
2-[(3,4-Difluorophenyl)methyl]-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 155566604
N-[(2,6-difluorophenyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 11524891
1,3-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-5-carboxamide
CID 46231351
(4-fluorophenyl)-[(8R)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67453148

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (CID 146282499) is 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is Cc1cccc(-c2nnc(C3CC(NC(=O)c4ccc(F)cn4)C3)n2-c2ccccc2F)n1.
What is the InChIKey of 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The InChIKey is BVKOWESRQTZUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O/c1-14-5-4-7-19(28-14)23-31-30-22(32(23)21-8-3-2-6-18(21)26)15-11-17(12-15)29-24(33)20-10-9-16(25)13-27-20/h2-10,13,15,17H,11-12H2,1H3,(H,29,33).
What are the key properties of 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 146282499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).