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

C25H21F3N6OS — CID 166079604

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

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(1,2-thiazol-3-yl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166079604) has the molecular formula C25H21F3N6OS and a molecular weight of 510.55 g/mol. Its IUPAC name is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(1,2-thiazol-3-yl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(1,2-thiazol-3-yl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166079604
• Molecular Formula: C25H21F3N6OS
• Molecular Weight: 510.55 g/mol
• Exact Mass: 510.14
• IUPAC Name: 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(1,2-thiazol-3-yl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: Cn1cnnc1[C@@H](c1cc(-c2ccsn2)cc(-n2cc3c(C(F)(F)F)cccn3c2=O)c1)C1CCC1
• InChI: InChI=1S/C25H21F3N6OS/c1-32-14-29-30-23(32)22(15-4-2-5-15)17-10-16(20-7-9-36-31-20)11-18(12-17)34-13-21-19(25(26,27)28)6-3-8-33(21)24(34)35/h3,6-15,22H,2,4-5H2,1H3/t22-/m1/s1
• InChIKey: AMWMBMGRIRXFNS-JOCHJYFZSA-N
• XLogP: 5.29
• TPSA: 70.01 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.55
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(1,2-thiazol-3-yl)phenyl]-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]-5-(1,2-thiazol-3-yl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166079604) is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(1,2-thiazol-3-yl)phenyl]-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]-5-(1,2-thiazol-3-yl)phenyl]-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]-5-(1,2-thiazol-3-yl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is Cn1cnnc1[C@@H](c1cc(-c2ccsn2)cc(-n2cc3c(C(F)(F)F)cccn3c2=O)c1)C1CCC1.

What is the InChIKey of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(1,2-thiazol-3-yl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The InChIKey is AMWMBMGRIRXFNS-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H21F3N6OS/c1-32-14-29-30-23(32)22(15-4-2-5-15)17-10-16(20-7-9-36-31-20)11-18(12-17)34-13-21-19(25(26,27)28)6-3-8-33(21)24(34)35/h3,6-15,22H,2,4-5H2,1H3/t22-/m1/s1.

What are the key properties of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(1,2-thiazol-3-yl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(1,2-thiazol-3-yl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 510.55 g/mol, XLogP of 5.29, 5 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]-5-(1,2-thiazol-3-yl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166079604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).