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

C27H29F3N6O3 — CID 166078790

IUPAC6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESC[C@@H]1CN(Cc2cc(C(F)(F)F)c3cn(-c4cccc([C@H](c5nncn5C)C5COC5)c4)c(=O)n3c2)CCO1
InChIInChI=1S/C27H29F3N6O3/c1-17-10-34(6-7-39-17)11-18-8-22(27(28,29)30)23-13-35(26(37)36(23)12-18)21-5-3-4-19(9-21)24(20-14-38-15-20)25-32-31-16-33(25)2/h3-5,8-9,12-13,16-17,20,24H,6-7,10-11,14-15H2,1-2H3/t17-,24+/m1/s1
InChIKeyDKEDOEXJSIYCRM-OSPHWJPCSA-N
MW542.56 g/mol
LogP3.24
Rot. Bonds6

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

6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166078790) has the molecular formula C27H29F3N6O3 and a molecular weight of 542.56 g/mol. Its IUPAC name is 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID166078790
Molecular FormulaC27H29F3N6O3
Molecular Weight542.56 g/mol
Exact Mass542.23
IUPAC Name6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESC[C@@H]1CN(Cc2cc(C(F)(F)F)c3cn(-c4cccc([C@H](c5nncn5C)C5COC5)c4)c(=O)n3c2)CCO1
InChIInChI=1S/C27H29F3N6O3/c1-17-10-34(6-7-39-17)11-18-8-22(27(28,29)30)23-13-35(26(37)36(23)12-18)21-5-3-4-19(9-21)24(20-14-38-15-20)25-32-31-16-33(25)2/h3-5,8-9,12-13,16-17,20,24H,6-7,10-11,14-15H2,1-2H3/t17-,24+/m1/s1
InChIKeyDKEDOEXJSIYCRM-OSPHWJPCSA-N
XLogP3.24
TPSA78.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.56
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

Cbl-b-IN-12
CID 166079710
2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 171902329
2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(3R)-3-hydroxy-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 177382109
6-[(4-Fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)-1,5-dihydroimidazo[1,5-a]pyridin-3-one
CID 177642976
3-[3-[6-[(4,4-Difluoro-3-methylpiperidin-1-yl)methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile
CID 166078750
2-[3-[(R)-azetidin-3-yl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166078751
2-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)phenyl]-6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166078759
2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166078761
Tert-butyl 3-[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate
CID 166078763
2-[3-[2-cyclobutyl-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166078769
Cbl-b-IN-21
CID 166078781
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166078784

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166078790) is 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is C[C@@H]1CN(Cc2cc(C(F)(F)F)c3cn(-c4cccc([C@H](c5nncn5C)C5COC5)c4)c(=O)n3c2)CCO1.
What is the InChIKey of 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is DKEDOEXJSIYCRM-OSPHWJPCSA-N. The full InChI is InChI=1S/C27H29F3N6O3/c1-17-10-34(6-7-39-17)11-18-8-22(27(28,29)30)23-13-35(26(37)36(23)12-18)21-5-3-4-19(9-21)24(20-14-38-15-20)25-32-31-16-33(25)2/h3-5,8-9,12-13,16-17,20,24H,6-7,10-11,14-15H2,1-2H3/t17-,24+/m1/s1.
What are the key properties of 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 542.56 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166078790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).