1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one

C26H37F2N7O3 — CID 77179273

About 1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one

1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one (PubChem CID 77179273) has the molecular formula C26H37F2N7O3 and a molecular weight of 533.62 g/mol. Its IUPAC name is 1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one.

Molecular Properties

• Compound Name: 1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one
• PubChem CID: 77179273
• Molecular Formula: C26H37F2N7O3
• Molecular Weight: 533.62 g/mol
• Exact Mass: 533.29
• IUPAC Name: 1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one
• SMILES: CC(C)c1noc(N2CCC(C(C)Oc3ccc(N4CC(N)C(N5CC(F)(F)CCC5=O)C4)nc3)CC2)n1
• InChI: InChI=1S/C26H37F2N7O3/c1-16(2)24-31-25(38-32-24)33-10-7-18(8-11-33)17(3)37-19-4-5-22(30-12-19)34-13-20(29)21(14-34)35-15-26(27,28)9-6-23(35)36/h4-5,12,16-18,20-21H,6-11,13-15,29H2,1-3H3
• InChIKey: UOKGCKKIBPWNFO-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 113.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.62
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one?

The IUPAC name of 1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one (CID 77179273) is 1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one.

What is the SMILES notation for 1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one?

The canonical SMILES for 1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one is CC(C)c1noc(N2CCC(C(C)Oc3ccc(N4CC(N)C(N5CC(F)(F)CCC5=O)C4)nc3)CC2)n1.

What is the InChIKey of 1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one?

The InChIKey is UOKGCKKIBPWNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F2N7O3/c1-16(2)24-31-25(38-32-24)33-10-7-18(8-11-33)17(3)37-19-4-5-22(30-12-19)34-13-20(29)21(14-34)35-15-26(27,28)9-6-23(35)36/h4-5,12,16-18,20-21H,6-11,13-15,29H2,1-3H3.

What are the key properties of 1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one?

1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one has a molecular weight of 533.62 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-amino-1-[5-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-2-pyridinyl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one is sourced from PubChem (CID 77179273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).