1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C24H33N7O4 — CID 146070820

About 1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 146070820) has the molecular formula C24H33N7O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
• PubChem CID: 146070820
• Molecular Formula: C24H33N7O4
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.26
• IUPAC Name: 1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
• SMILES: CC(C)c1nnc(C2CC3(CCN(C(=O)c4ccncn4)CC3)CN2CC(=O)N2CCOCC2)o1
• InChI: InChI=1S/C24H33N7O4/c1-17(2)21-27-28-22(35-21)19-13-24(15-31(19)14-20(32)29-9-11-34-12-10-29)4-7-30(8-5-24)23(33)18-3-6-25-16-26-18/h3,6,16-17,19H,4-5,7-15H2,1-2H3
• InChIKey: QFXXKMSEPOGPDK-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 117.79 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

The IUPAC name of 1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 146070820) is 1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

What is the SMILES notation for 1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

The canonical SMILES for 1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CC(C)c1nnc(C2CC3(CCN(C(=O)c4ccncn4)CC3)CN2CC(=O)N2CCOCC2)o1.

What is the InChIKey of 1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

The InChIKey is QFXXKMSEPOGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O4/c1-17(2)21-27-28-22(35-21)19-13-24(15-31(19)14-20(32)29-9-11-34-12-10-29)4-7-30(8-5-24)23(33)18-3-6-25-16-26-18/h3,6,16-17,19H,4-5,7-15H2,1-2H3.

What are the key properties of 1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 483.57 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 146070820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).