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

C26H30FN5O — CID 131669861

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

7-[(2-fluorophenyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131669861) has the molecular formula C26H30FN5O and a molecular weight of 447.56 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 7-[(2-fluorophenyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 131669861
• Molecular Formula: C26H30FN5O
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.24
• IUPAC Name: 7-[(2-fluorophenyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: CC(C)n1cnc(C2CN(Cc3ccccc3F)CC23CCN(Cc2cccnc2)C3=O)c1
• InChI: InChI=1S/C26H30FN5O/c1-19(2)32-16-24(29-18-32)22-15-30(14-21-7-3-4-8-23(21)27)17-26(22)9-11-31(25(26)33)13-20-6-5-10-28-12-20/h3-8,10,12,16,18-19,22H,9,11,13-15,17H2,1-2H3
• InChIKey: QPBNBSHKQYKWLS-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-[(2-fluorophenyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 131669861) is 7-[(2-fluorophenyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

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

The canonical SMILES for 7-[(2-fluorophenyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is CC(C)n1cnc(C2CN(Cc3ccccc3F)CC23CCN(Cc2cccnc2)C3=O)c1.

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

The InChIKey is QPBNBSHKQYKWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O/c1-19(2)32-16-24(29-18-32)22-15-30(14-21-7-3-4-8-23(21)27)17-26(22)9-11-31(25(26)33)13-20-6-5-10-28-12-20/h3-8,10,12,16,18-19,22H,9,11,13-15,17H2,1-2H3.

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

7-[(2-fluorophenyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 447.56 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-fluorophenyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131669861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).