1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one

C25H25F3N6O — CID 177382157

IUPAC1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCC1CC(c2cccc(-c3cc(C(F)(F)F)cn(Cc4cn(C)cn4)c3=O)c2)(c2nncn2C)C1
InChIInChI=1S/C25H25F3N6O/c1-16-9-24(10-16,23-31-30-15-33(23)3)18-6-4-5-17(7-18)21-8-19(25(26,27)28)11-34(22(21)35)13-20-12-32(2)14-29-20/h4-8,11-12,14-16H,9-10,13H2,1-3H3
InChIKeyCVXMOXQAGXYMOM-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.16
Rot. Bonds5

About 1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one

1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 177382157) has the molecular formula C25H25F3N6O and a molecular weight of 482.51 g/mol. Its IUPAC name is 1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID177382157
Molecular FormulaC25H25F3N6O
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC Name1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCC1CC(c2cccc(-c3cc(C(F)(F)F)cn(Cc4cn(C)cn4)c3=O)c2)(c2nncn2C)C1
InChIInChI=1S/C25H25F3N6O/c1-16-9-24(10-16,23-31-30-15-33(23)3)18-6-4-5-17(7-18)21-8-19(25(26,27)28)11-34(22(21)35)13-20-12-32(2)14-29-20/h4-8,11-12,14-16H,9-10,13H2,1-3H3
InChIKeyCVXMOXQAGXYMOM-UHFFFAOYSA-N
XLogP4.16
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one (CID 177382157) is 1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one is CC1CC(c2cccc(-c3cc(C(F)(F)F)cn(Cc4cn(C)cn4)c3=O)c2)(c2nncn2C)C1.
What is the InChIKey of 1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is CVXMOXQAGXYMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O/c1-16-9-24(10-16,23-31-30-15-33(23)3)18-6-4-5-17(7-18)21-8-19(25(26,27)28)11-34(22(21)35)13-20-12-32(2)14-29-20/h4-8,11-12,14-16H,9-10,13H2,1-3H3.
What are the key properties of 1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 482.51 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 177382157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).