6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C28H31F3N6O3 — CID 166080079

IUPAC6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCn1cnnc1CC1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCOC(C)(C)C5)cn4c3=O)c2)COC1
InChIInChI=1S/C28H31F3N6O3/c1-26(2)15-35(7-8-40-26)12-19-9-22(28(29,30)31)23-14-36(25(38)37(23)13-19)21-6-4-5-20(10-21)27(16-39-17-27)11-24-33-32-18-34(24)3/h4-6,9-10,13-14,18H,7-8,11-12,15-17H2,1-3H3
InChIKeyJXQUCBOUQJJOAR-UHFFFAOYSA-N
MW556.59 g/mol
LogP3.36
Rot. Bonds6

About 6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166080079) has the molecular formula C28H31F3N6O3 and a molecular weight of 556.59 g/mol. Its IUPAC name is 6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID166080079
Molecular FormulaC28H31F3N6O3
Molecular Weight556.59 g/mol
Exact Mass556.24
IUPAC Name6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCn1cnnc1CC1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCOC(C)(C)C5)cn4c3=O)c2)COC1
InChIInChI=1S/C28H31F3N6O3/c1-26(2)15-35(7-8-40-26)12-19-9-22(28(29,30)31)23-14-36(25(38)37(23)13-19)21-6-4-5-20(10-21)27(16-39-17-27)11-24-33-32-18-34(24)3/h4-6,9-10,13-14,18H,7-8,11-12,15-17H2,1-3H3
InChIKeyJXQUCBOUQJJOAR-UHFFFAOYSA-N
XLogP3.36
TPSA78.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.59
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166080079) is 6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is Cn1cnnc1CC1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCOC(C)(C)C5)cn4c3=O)c2)COC1.
What is the InChIKey of 6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is JXQUCBOUQJJOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N6O3/c1-26(2)15-35(7-8-40-26)12-19-9-22(28(29,30)31)23-14-36(25(38)37(23)13-19)21-6-4-5-20(10-21)27(16-39-17-27)11-24-33-32-18-34(24)3/h4-6,9-10,13-14,18H,7-8,11-12,15-17H2,1-3H3.
What are the key properties of 6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 556.59 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethylmorpholin-4-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166080079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).