2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C28H36F4N6O2 — CID 166079527

IUPAC2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESC[C@@H]1CN(Cc2cc(C(F)(F)F)c3cn(C4CC(F)CC([C@@H](c5nncn5C)C5CCC5)C4)c(=O)n3c2)CCO1
InChIInChI=1S/C28H36F4N6O2/c1-17-12-36(6-7-40-17)13-18-8-23(28(30,31)32)24-15-37(27(39)38(24)14-18)22-10-20(9-21(29)11-22)25(19-4-3-5-19)26-34-33-16-35(26)2/h8,14-17,19-22,25H,3-7,9-13H2,1-2H3/t17-,20?,21?,22?,25+/m1/s1
InChIKeyJTEUQQDSFGCLIX-ZTDNVMMOSA-N
MW564.63 g/mol
LogP4.73
Rot. Bonds6

About 2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166079527) has the molecular formula C28H36F4N6O2 and a molecular weight of 564.63 g/mol. Its IUPAC name is 2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID166079527
Molecular FormulaC28H36F4N6O2
Molecular Weight564.63 g/mol
Exact Mass564.28
IUPAC Name2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESC[C@@H]1CN(Cc2cc(C(F)(F)F)c3cn(C4CC(F)CC([C@@H](c5nncn5C)C5CCC5)C4)c(=O)n3c2)CCO1
InChIInChI=1S/C28H36F4N6O2/c1-17-12-36(6-7-40-17)13-18-8-23(28(30,31)32)24-15-37(27(39)38(24)14-18)22-10-20(9-21(29)11-22)25(19-4-3-5-19)26-34-33-16-35(26)2/h8,14-17,19-22,25H,3-7,9-13H2,1-2H3/t17-,20?,21?,22?,25+/m1/s1
InChIKeyJTEUQQDSFGCLIX-ZTDNVMMOSA-N
XLogP4.73
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.63
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166079527) is 2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is C[C@@H]1CN(Cc2cc(C(F)(F)F)c3cn(C4CC(F)CC([C@@H](c5nncn5C)C5CCC5)C4)c(=O)n3c2)CCO1.
What is the InChIKey of 2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is JTEUQQDSFGCLIX-ZTDNVMMOSA-N. The full InChI is InChI=1S/C28H36F4N6O2/c1-17-12-36(6-7-40-17)13-18-8-23(28(30,31)32)24-15-37(27(39)38(24)14-18)22-10-20(9-21(29)11-22)25(19-4-3-5-19)26-34-33-16-35(26)2/h8,14-17,19-22,25H,3-7,9-13H2,1-2H3/t17-,20?,21?,22?,25+/m1/s1.
What are the key properties of 2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 564.63 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-fluorocyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166079527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).