4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine

C26H33F2N7O2 — CID 123212392

About 4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine

4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 123212392) has the molecular formula C26H33F2N7O2 and a molecular weight of 513.59 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

• Compound Name: 4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine
• PubChem CID: 123212392
• Molecular Formula: C26H33F2N7O2
• Molecular Weight: 513.59 g/mol
• Exact Mass: 513.27
• IUPAC Name: 4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine
• SMILES: Cc1nc(N2CC(N)C(c3cc(F)ccc3F)C2)ncc1OCC1CCN(c2nc(C(C)C)no2)CC1
• InChI: InChI=1S/C26H33F2N7O2/c1-15(2)24-32-26(37-33-24)34-8-6-17(7-9-34)14-36-23-11-30-25(31-16(23)3)35-12-20(22(29)13-35)19-10-18(27)4-5-21(19)28/h4-5,10-11,15,17,20,22H,6-9,12-14,29H2,1-3H3
• InChIKey: AQFMVHPLDCETAN-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 106.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.59
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine?

The IUPAC name of 4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine (CID 123212392) is 4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine.

What is the SMILES notation for 4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine?

The canonical SMILES for 4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine is Cc1nc(N2CC(N)C(c3cc(F)ccc3F)C2)ncc1OCC1CCN(c2nc(C(C)C)no2)CC1.

What is the InChIKey of 4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine?

The InChIKey is AQFMVHPLDCETAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F2N7O2/c1-15(2)24-32-26(37-33-24)34-8-6-17(7-9-34)14-36-23-11-30-25(31-16(23)3)35-12-20(22(29)13-35)19-10-18(27)4-5-21(19)28/h4-5,10-11,15,17,20,22H,6-9,12-14,29H2,1-3H3.

What are the key properties of 4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine?

4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine has a molecular weight of 513.59 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,5-difluorophenyl)-1-[4-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 123212392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).