(2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one

C27H24F5N7O2 — CID 118378446

About (2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one

(2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 118378446) has the molecular formula C27H24F5N7O2 and a molecular weight of 573.53 g/mol. Its IUPAC name is (2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: (2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 118378446
• Molecular Formula: C27H24F5N7O2
• Molecular Weight: 573.53 g/mol
• Exact Mass: 573.19
• IUPAC Name: (2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one
• SMILES: Cc1nc(C)c(-c2nnc(-c3ccnc(C(F)(F)F)n3)o2)c(C2CCN(C(=O)[C@H](C)c3c(F)cccc3F)CC2)n1
• InChI: InChI=1S/C27H24F5N7O2/c1-13(20-17(28)5-4-6-18(20)29)25(40)39-11-8-16(9-12-39)22-21(14(2)34-15(3)35-22)24-38-37-23(41-24)19-7-10-33-26(36-19)27(30,31)32/h4-7,10,13,16H,8-9,11-12H2,1-3H3/t13-/m1/s1
• InChIKey: KZFPXHSEDAKUKN-CYBMUJFWSA-N
• XLogP: 5.41
• TPSA: 110.79 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.53
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of (2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one (CID 118378446) is (2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for (2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for (2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one is Cc1nc(C)c(-c2nnc(-c3ccnc(C(F)(F)F)n3)o2)c(C2CCN(C(=O)[C@H](C)c3c(F)cccc3F)CC2)n1.

What is the InChIKey of (2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

The InChIKey is KZFPXHSEDAKUKN-CYBMUJFWSA-N. The full InChI is InChI=1S/C27H24F5N7O2/c1-13(20-17(28)5-4-6-18(20)29)25(40)39-11-8-16(9-12-39)22-21(14(2)34-15(3)35-22)24-38-37-23(41-24)19-7-10-33-26(36-19)27(30,31)32/h4-7,10,13,16H,8-9,11-12H2,1-3H3/t13-/m1/s1.

What are the key properties of (2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

(2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 573.53 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 118378446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).