tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate

C32H37F3N6O3 — CID 171753120

About tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate

tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate (PubChem CID 171753120) has the molecular formula C32H37F3N6O3 and a molecular weight of 610.68 g/mol. Its IUPAC name is tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate
• PubChem CID: 171753120
• Molecular Formula: C32H37F3N6O3
• Molecular Weight: 610.68 g/mol
• Exact Mass: 610.29
• IUPAC Name: tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate
• SMILES: Cn1cnnc1[C@@H](c1cccc(-n2cc3c(C(F)(F)F)cc(C4CCCN(C(=O)OC(C)(C)C)C4)cn3c2=O)c1)C1CCC1
• InChI: InChI=1S/C32H37F3N6O3/c1-31(2,3)44-30(43)39-13-7-11-22(16-39)23-15-25(32(33,34)35)26-18-40(29(42)41(26)17-23)24-12-6-10-21(14-24)27(20-8-5-9-20)28-37-36-19-38(28)4/h6,10,12,14-15,17-20,22,27H,5,7-9,11,13,16H2,1-4H3/t22?,27-/m1/s1
• InChIKey: ATJPTACAXLZWRK-RZIURPKCSA-N
• XLogP: 6.28
• TPSA: 86.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.68
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate (CID 171753120) is tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate is Cn1cnnc1[C@@H](c1cccc(-n2cc3c(C(F)(F)F)cc(C4CCCN(C(=O)OC(C)(C)C)C4)cn3c2=O)c1)C1CCC1.

What is the InChIKey of tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate?

The InChIKey is ATJPTACAXLZWRK-RZIURPKCSA-N. The full InChI is InChI=1S/C32H37F3N6O3/c1-31(2,3)44-30(43)39-13-7-11-22(16-39)23-15-25(32(33,34)35)26-18-40(29(42)41(26)17-23)24-12-6-10-21(14-24)27(20-8-5-9-20)28-37-36-19-38(28)4/h6,10,12,14-15,17-20,22,27H,5,7-9,11,13,16H2,1-4H3/t22?,27-/m1/s1.

What are the key properties of tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate?

tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate has a molecular weight of 610.68 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 171753120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).