3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide

C30H27F4N7O2 — CID 88989746

IUPAC3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NCN3CCn4nc(C(F)(F)F)nc4C3C)cc(C3=NOC(c4ccccn4)C3)c2)c(F)c1
InChIInChI=1S/C30H27F4N7O2/c1-17-6-7-22(23(31)11-17)19-12-20(25-15-26(43-39-25)24-5-3-4-8-35-24)14-21(13-19)28(42)36-16-40-9-10-41-27(18(40)2)37-29(38-41)30(32,33)34/h3-8,11-14,18,26H,9-10,15-16H2,1-2H3,(H,36,42)
InChIKeyFUTUPZQGUQDREZ-UHFFFAOYSA-N
MW593.59 g/mol
LogP5.44
Rot. Bonds6

About 3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide

3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide (PubChem CID 88989746) has the molecular formula C30H27F4N7O2 and a molecular weight of 593.59 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide
PubChem CID88989746
Molecular FormulaC30H27F4N7O2
Molecular Weight593.59 g/mol
Exact Mass593.22
IUPAC Name3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NCN3CCn4nc(C(F)(F)F)nc4C3C)cc(C3=NOC(c4ccccn4)C3)c2)c(F)c1
InChIInChI=1S/C30H27F4N7O2/c1-17-6-7-22(23(31)11-17)19-12-20(25-15-26(43-39-25)24-5-3-4-8-35-24)14-21(13-19)28(42)36-16-40-9-10-41-27(18(40)2)37-29(38-41)30(32,33)34/h3-8,11-14,18,26H,9-10,15-16H2,1-2H3,(H,36,42)
InChIKeyFUTUPZQGUQDREZ-UHFFFAOYSA-N
XLogP5.44
TPSA97.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.59
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide (CID 88989746) is 3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide is Cc1ccc(-c2cc(C(=O)NCN3CCn4nc(C(F)(F)F)nc4C3C)cc(C3=NOC(c4ccccn4)C3)c2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide?
The InChIKey is FUTUPZQGUQDREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F4N7O2/c1-17-6-7-22(23(31)11-17)19-12-20(25-15-26(43-39-25)24-5-3-4-8-35-24)14-21(13-19)28(42)36-16-40-9-10-41-27(18(40)2)37-29(38-41)30(32,33)34/h3-8,11-14,18,26H,9-10,15-16H2,1-2H3,(H,36,42).
What are the key properties of 3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide?
3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide has a molecular weight of 593.59 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 88989746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).