5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide

C25H25F4N7O — CID 71245247

IUPAC5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C(F)(F)F)n2)cc1N1C=CN(C2CCC2)C1
InChIInChI=1S/C25H25F4N7O/c1-15-11-19(26)18(12-21(15)35-10-9-34(14-35)17-5-3-6-17)24(37)32-22-8-4-7-20(31-22)23-33-30-13-36(23)16(2)25(27,28)29/h4,7-13,16-17H,3,5-6,14H2,1-2H3,(H,31,32,37)
InChIKeyLTDFHLXCHTZBGY-UHFFFAOYSA-N
MW515.52 g/mol
LogP5.27
Rot. Bonds6

About 5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide

5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide (PubChem CID 71245247) has the molecular formula C25H25F4N7O and a molecular weight of 515.52 g/mol. Its IUPAC name is 5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide
PubChem CID71245247
Molecular FormulaC25H25F4N7O
Molecular Weight515.52 g/mol
Exact Mass515.21
IUPAC Name5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C(F)(F)F)n2)cc1N1C=CN(C2CCC2)C1
InChIInChI=1S/C25H25F4N7O/c1-15-11-19(26)18(12-21(15)35-10-9-34(14-35)17-5-3-6-17)24(37)32-22-8-4-7-20(31-22)23-33-30-13-36(23)16(2)25(27,28)29/h4,7-13,16-17H,3,5-6,14H2,1-2H3,(H,31,32,37)
InChIKeyLTDFHLXCHTZBGY-UHFFFAOYSA-N
XLogP5.27
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide (CID 71245247) is 5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C(F)(F)F)n2)cc1N1C=CN(C2CCC2)C1.
What is the InChIKey of 5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide?
The InChIKey is LTDFHLXCHTZBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N7O/c1-15-11-19(26)18(12-21(15)35-10-9-34(14-35)17-5-3-6-17)24(37)32-22-8-4-7-20(31-22)23-33-30-13-36(23)16(2)25(27,28)29/h4,7-13,16-17H,3,5-6,14H2,1-2H3,(H,31,32,37).
What are the key properties of 5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide?
5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide has a molecular weight of 515.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclobutyl-2H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 71245247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).