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

C24H31N7O — CID 131669859

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

7-[(1-methylpyrazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131669859) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is 7-[(1-methylpyrazol-4-yl)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-[(1-methylpyrazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 131669859
• Molecular Formula: C24H31N7O
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.26
• IUPAC Name: 7-[(1-methylpyrazol-4-yl)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(Cc3cnn(C)c3)CC23CCN(Cc2cccnc2)C3=O)c1
• InChI: InChI=1S/C24H31N7O/c1-18(2)31-15-22(26-17-31)21-14-29(12-20-10-27-28(3)11-20)16-24(21)6-8-30(23(24)32)13-19-5-4-7-25-9-19/h4-5,7,9-11,15,17-18,21H,6,8,12-14,16H2,1-3H3
• InChIKey: DYTMTPNGONNGEC-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 72.08 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylpyrazol-4-yl)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-[(1-methylpyrazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 131669859) is 7-[(1-methylpyrazol-4-yl)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-[(1-methylpyrazol-4-yl)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-[(1-methylpyrazol-4-yl)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(Cc3cnn(C)c3)CC23CCN(Cc2cccnc2)C3=O)c1.

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

The InChIKey is DYTMTPNGONNGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c1-18(2)31-15-22(26-17-31)21-14-29(12-20-10-27-28(3)11-20)16-24(21)6-8-30(23(24)32)13-19-5-4-7-25-9-19/h4-5,7,9-11,15,17-18,21H,6,8,12-14,16H2,1-3H3.

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

7-[(1-methylpyrazol-4-yl)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 433.56 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1-methylpyrazol-4-yl)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 131669859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).