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

C30H33F3N6O4 — CID 166078763

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

tert-butyl 3-[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate (PubChem CID 166078763) has the molecular formula C30H33F3N6O4 and a molecular weight of 598.63 g/mol. Its IUPAC name is tert-butyl 3-[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate
• PubChem CID: 166078763
• Molecular Formula: C30H33F3N6O4
• Molecular Weight: 598.63 g/mol
• Exact Mass: 598.25
• IUPAC Name: tert-butyl 3-[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate
• SMILES: Cn1cnnc1CC1(c2cccc(-n3cc4c(C(F)(F)F)cc(C5CCN(C(=O)OC(C)(C)C)C5)cn4c3=O)c2)COC1
• InChI: InChI=1S/C30H33F3N6O4/c1-28(2,3)43-27(41)37-9-8-19(13-37)20-10-23(30(31,32)33)24-15-38(26(40)39(24)14-20)22-7-5-6-21(11-22)29(16-42-17-29)12-25-35-34-18-36(25)4/h5-7,10-11,14-15,18-19H,8-9,12-13,16-17H2,1-4H3
• InChIKey: UUQOYMWBBZWIAR-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 95.89 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.63
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of tert-butyl 3-[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate (CID 166078763) is tert-butyl 3-[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate.

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

The canonical SMILES for tert-butyl 3-[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate is Cn1cnnc1CC1(c2cccc(-n3cc4c(C(F)(F)F)cc(C5CCN(C(=O)OC(C)(C)C)C5)cn4c3=O)c2)COC1.

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

The InChIKey is UUQOYMWBBZWIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N6O4/c1-28(2,3)43-27(41)37-9-8-19(13-37)20-10-23(30(31,32)33)24-15-38(26(40)39(24)14-20)22-7-5-6-21(11-22)29(16-42-17-29)12-25-35-34-18-36(25)4/h5-7,10-11,14-15,18-19H,8-9,12-13,16-17H2,1-4H3.

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

tert-butyl 3-[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate has a molecular weight of 598.63 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 166078763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).