6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C29H31F3N6O2 — CID 166078839

IUPAC6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESC[C@@H]1CN(Cc2cc(C(F)(F)F)c3cn(-c4cccc(C5(c6nncn6C)CC6(CC6)C5)c4)c(=O)n3c2)CCO1
InChIInChI=1S/C29H31F3N6O2/c1-19-12-36(8-9-40-19)13-20-10-23(29(30,31)32)24-15-37(26(39)38(24)14-20)22-5-3-4-21(11-22)28(16-27(17-28)6-7-27)25-34-33-18-35(25)2/h3-5,10-11,14-15,18-19H,6-9,12-13,16-17H2,1-2H3/t19-/m1/s1
InChIKeyBBSNQIIYQXQTOU-LJQANCHMSA-N
MW552.60 g/mol
LogP4.32
Rot. Bonds5

About 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166078839) has the molecular formula C29H31F3N6O2 and a molecular weight of 552.60 g/mol. Its IUPAC name is 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID166078839
Molecular FormulaC29H31F3N6O2
Molecular Weight552.60 g/mol
Exact Mass552.25
IUPAC Name6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESC[C@@H]1CN(Cc2cc(C(F)(F)F)c3cn(-c4cccc(C5(c6nncn6C)CC6(CC6)C5)c4)c(=O)n3c2)CCO1
InChIInChI=1S/C29H31F3N6O2/c1-19-12-36(8-9-40-19)13-20-10-23(29(30,31)32)24-15-37(26(39)38(24)14-20)22-5-3-4-21(11-22)28(16-27(17-28)6-7-27)25-34-33-18-35(25)2/h3-5,10-11,14-15,18-19H,6-9,12-13,16-17H2,1-2H3/t19-/m1/s1
InChIKeyBBSNQIIYQXQTOU-LJQANCHMSA-N
XLogP4.32
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.60
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one with MolForge

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Related Compounds

6-[(4-fluoropiperidin-1-yl)methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079866
2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one
CID 166078819
6-isocyano-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171752846
2-[3-[5-(1,2-dimethyltriazet-4-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one
CID 170641682
3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 170270011
6-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]-2-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171510538
6-[[(1-methylcyclobutyl)amino]methyl]-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethoxy)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171510468
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
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
6-[[(3R)-3-isocyanopyrrolidin-1-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 171753644
6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079037
2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 178155724

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166078839) is 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]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-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is C[C@@H]1CN(Cc2cc(C(F)(F)F)c3cn(-c4cccc(C5(c6nncn6C)CC6(CC6)C5)c4)c(=O)n3c2)CCO1.
What is the InChIKey of 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is BBSNQIIYQXQTOU-LJQANCHMSA-N. The full InChI is InChI=1S/C29H31F3N6O2/c1-19-12-36(8-9-40-19)13-20-10-23(29(30,31)32)24-15-37(26(39)38(24)14-20)22-5-3-4-21(11-22)28(16-27(17-28)6-7-27)25-34-33-18-35(25)2/h3-5,10-11,14-15,18-19H,6-9,12-13,16-17H2,1-2H3/t19-/m1/s1.
What are the key properties of 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 552.60 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166078839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).