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

C27H29F3N6O — CID 166079092

IUPAC2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCC1CC(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCCC5)cn4c3=O)c2)(c2nncn2C)C1
InChIInChI=1S/C27H29F3N6O/c1-18-12-26(13-18,24-32-31-17-33(24)2)20-6-5-7-21(11-20)35-16-23-22(27(28,29)30)10-19(15-36(23)25(35)37)14-34-8-3-4-9-34/h5-7,10-11,15-18H,3-4,8-9,12-14H2,1-2H3
InChIKeyXJRLIOHSJVOOHE-UHFFFAOYSA-N
MW510.56 g/mol
LogP4.55
Rot. Bonds5

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

2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166079092) has the molecular formula C27H29F3N6O and a molecular weight of 510.56 g/mol. Its IUPAC name is 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID166079092
Molecular FormulaC27H29F3N6O
Molecular Weight510.56 g/mol
Exact Mass510.24
IUPAC Name2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCC1CC(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCCC5)cn4c3=O)c2)(c2nncn2C)C1
InChIInChI=1S/C27H29F3N6O/c1-18-12-26(13-18,24-32-31-17-33(24)2)20-6-5-7-21(11-20)35-16-23-22(27(28,29)30)10-19(15-36(23)25(35)37)14-34-8-3-4-9-34/h5-7,10-11,15-18H,3-4,8-9,12-14H2,1-2H3
InChIKeyXJRLIOHSJVOOHE-UHFFFAOYSA-N
XLogP4.55
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.56
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-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 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166079092) is 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CC1CC(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCCC5)cn4c3=O)c2)(c2nncn2C)C1.
What is the InChIKey of 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is XJRLIOHSJVOOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N6O/c1-18-12-26(13-18,24-32-31-17-33(24)2)20-6-5-7-21(11-20)35-16-23-22(27(28,29)30)10-19(15-36(23)25(35)37)14-34-8-3-4-9-34/h5-7,10-11,15-18H,3-4,8-9,12-14H2,1-2H3.
What are the key properties of 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 510.56 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166079092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).