4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole

C33H31F3N8O2 — CID 171781699

About 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole

4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 171781699) has the molecular formula C33H31F3N8O2 and a molecular weight of 628.66 g/mol. Its IUPAC name is 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 171781699
• Molecular Formula: C33H31F3N8O2
• Molecular Weight: 628.66 g/mol
• Exact Mass: 628.25
• IUPAC Name: 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: COc1ncnc(C2CC2)c1-c1ncc2cc(-c3c(C)noc3C)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1
• InChI: InChI=1S/C33H31F3N8O2/c1-17(2)43-15-25(33(34,35)36)40-30(43)22-8-6-20(7-9-22)14-44-24(26-18(3)42-46-19(26)4)12-23-13-37-29(41-31(23)44)27-28(21-10-11-21)38-16-39-32(27)45-5/h6-9,12-13,15-17,21H,10-11,14H2,1-5H3
• InChIKey: FUYRARGDPSOOIC-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 109.57 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.66
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 171781699) is 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole is COc1ncnc(C2CC2)c1-c1ncc2cc(-c3c(C)noc3C)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1.

What is the InChIKey of 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is FUYRARGDPSOOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F3N8O2/c1-17(2)43-15-25(33(34,35)36)40-30(43)22-8-6-20(7-9-22)14-44-24(26-18(3)42-46-19(26)4)12-23-13-37-29(41-31(23)44)27-28(21-10-11-21)38-16-39-32(27)45-5/h6-9,12-13,15-17,21H,10-11,14H2,1-5H3.

What are the key properties of 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole?

4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 628.66 g/mol, XLogP of 7.56, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 171781699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).