2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C30H32F3N7O2 — CID 166080058

IUPAC2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCN1CCC2(CN(Cc3cc(C(F)(F)F)c4cn(-c5cccc([C@H](c6nncn6C)C6CCC6)c5)c(=O)n4c3)C2)C1=O
InChIInChI=1S/C30H32F3N7O2/c1-36-10-9-29(27(36)41)16-38(17-29)13-19-11-23(30(31,32)33)24-15-39(28(42)40(24)14-19)22-8-4-7-21(12-22)25(20-5-3-6-20)26-35-34-18-37(26)2/h4,7-8,11-12,14-15,18,20,25H,3,5-6,9-10,13,16-17H2,1-2H3/t25-/m1/s1
InChIKeyLKSXRPPOYSQVIC-RUZDIDTESA-N
MW579.63 g/mol
LogP3.83
Rot. Bonds6

About 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166080058) has the molecular formula C30H32F3N7O2 and a molecular weight of 579.63 g/mol. Its IUPAC name is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID166080058
Molecular FormulaC30H32F3N7O2
Molecular Weight579.63 g/mol
Exact Mass579.26
IUPAC Name2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCN1CCC2(CN(Cc3cc(C(F)(F)F)c4cn(-c5cccc([C@H](c6nncn6C)C6CCC6)c5)c(=O)n4c3)C2)C1=O
InChIInChI=1S/C30H32F3N7O2/c1-36-10-9-29(27(36)41)16-38(17-29)13-19-11-23(30(31,32)33)24-15-39(28(42)40(24)14-19)22-8-4-7-21(12-22)25(20-5-3-6-20)26-35-34-18-37(26)2/h4,7-8,11-12,14-15,18,20,25H,3,5-6,9-10,13,16-17H2,1-2H3/t25-/m1/s1
InChIKeyLKSXRPPOYSQVIC-RUZDIDTESA-N
XLogP3.83
TPSA80.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.63
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-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-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166080058) is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CN1CCC2(CN(Cc3cc(C(F)(F)F)c4cn(-c5cccc([C@H](c6nncn6C)C6CCC6)c5)c(=O)n4c3)C2)C1=O.
What is the InChIKey of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is LKSXRPPOYSQVIC-RUZDIDTESA-N. The full InChI is InChI=1S/C30H32F3N7O2/c1-36-10-9-29(27(36)41)16-38(17-29)13-19-11-23(30(31,32)33)24-15-39(28(42)40(24)14-19)22-8-4-7-21(12-22)25(20-5-3-6-20)26-35-34-18-37(26)2/h4,7-8,11-12,14-15,18,20,25H,3,5-6,9-10,13,16-17H2,1-2H3/t25-/m1/s1.
What are the key properties of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 579.63 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166080058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).