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

C27H35F3N6O2 — CID 166079511

IUPAC2-[3-[(S)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-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(C4CCCC([C@@H](c5nncn5C)C5CC5)C4)c(=O)n3c2)CCO1
InChIInChI=1S/C27H35F3N6O2/c1-17-12-34(8-9-38-17)13-18-10-22(27(28,29)30)23-15-35(26(37)36(23)14-18)21-5-3-4-20(11-21)24(19-6-7-19)25-32-31-16-33(25)2/h10,14-17,19-21,24H,3-9,11-13H2,1-2H3/t17-,20?,21?,24+/m1/s1
InChIKeyODKQYURSZJLDIX-KAHMTJTRSA-N
MW532.61 g/mol
LogP4.39
Rot. Bonds6

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

2-[3-[(S)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166079511) has the molecular formula C27H35F3N6O2 and a molecular weight of 532.61 g/mol. Its IUPAC name is 2-[3-[(S)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[(S)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID166079511
Molecular FormulaC27H35F3N6O2
Molecular Weight532.61 g/mol
Exact Mass532.28
IUPAC Name2-[3-[(S)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-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(C4CCCC([C@@H](c5nncn5C)C5CC5)C4)c(=O)n3c2)CCO1
InChIInChI=1S/C27H35F3N6O2/c1-17-12-34(8-9-38-17)13-18-10-22(27(28,29)30)23-15-35(26(37)36(23)14-18)21-5-3-4-20(11-21)24(19-6-7-19)25-32-31-16-33(25)2/h10,14-17,19-21,24H,3-9,11-13H2,1-2H3/t17-,20?,21?,24+/m1/s1
InChIKeyODKQYURSZJLDIX-KAHMTJTRSA-N
XLogP4.39
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.61
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-[(S)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-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)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[(S)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166079511) is 2-[3-[(S)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-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)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[(S)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-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(C4CCCC([C@@H](c5nncn5C)C5CC5)C4)c(=O)n3c2)CCO1.
What is the InChIKey of 2-[3-[(S)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is ODKQYURSZJLDIX-KAHMTJTRSA-N. The full InChI is InChI=1S/C27H35F3N6O2/c1-17-12-34(8-9-38-17)13-18-10-22(27(28,29)30)23-15-35(26(37)36(23)14-18)21-5-3-4-20(11-21)24(19-6-7-19)25-32-31-16-33(25)2/h10,14-17,19-21,24H,3-9,11-13H2,1-2H3/t17-,20?,21?,24+/m1/s1.
What are the key properties of 2-[3-[(S)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[3-[(S)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 532.61 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(S)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166079511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).