9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C25H30N6O — CID 131672381

About 9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131672381) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 131672381
• Molecular Formula: C25H30N6O
• Molecular Weight: 430.56 g/mol
• Exact Mass: 430.25
• IUPAC Name: 9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: CC(C)n1cnc(C2CN(Cc3cccnc3)CC23CCN(Cc2cccnc2)C3=O)c1
• InChI: InChI=1S/C25H30N6O/c1-19(2)31-16-23(28-18-31)22-15-29(13-20-5-3-8-26-11-20)17-25(22)7-10-30(24(25)32)14-21-6-4-9-27-12-21/h3-6,8-9,11-12,16,18-19,22H,7,10,13-15,17H2,1-2H3
• InChIKey: NYQIWMYXNWKSNZ-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.56
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 131672381) is 9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is CC(C)n1cnc(C2CN(Cc3cccnc3)CC23CCN(Cc2cccnc2)C3=O)c1.

What is the InChIKey of 9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is NYQIWMYXNWKSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-19(2)31-16-23(28-18-31)22-15-29(13-20-5-3-8-26-11-20)17-25(22)7-10-30(24(25)32)14-21-6-4-9-27-12-21/h3-6,8-9,11-12,16,18-19,22H,7,10,13-15,17H2,1-2H3.

What are the key properties of 9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 430.56 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131672381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).