9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one

C21H29N5O — CID 98896743

About 9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one

9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 98896743) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

• Compound Name: 9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
• PubChem CID: 98896743
• Molecular Formula: C21H29N5O
• Molecular Weight: 367.50 g/mol
• Exact Mass: 367.24
• IUPAC Name: 9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
• SMILES: Cc1cccc(CN2CCCC3(CCN(Cc4ccnn4C)CC3)C2=O)n1
• InChI: InChI=1S/C21H29N5O/c1-17-5-3-6-18(23-17)15-26-12-4-8-21(20(26)27)9-13-25(14-10-21)16-19-7-11-22-24(19)2/h3,5-7,11H,4,8-10,12-16H2,1-2H3
• InChIKey: LXNYDEIUSHZEHG-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.50
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?

The IUPAC name of 9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one (CID 98896743) is 9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one.

What is the SMILES notation for 9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?

The canonical SMILES for 9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one is Cc1cccc(CN2CCCC3(CCN(Cc4ccnn4C)CC3)C2=O)n1.

What is the InChIKey of 9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?

The InChIKey is LXNYDEIUSHZEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-17-5-3-6-18(23-17)15-26-12-4-8-21(20(26)27)9-13-25(14-10-21)16-19-7-11-22-24(19)2/h3,5-7,11H,4,8-10,12-16H2,1-2H3.

What are the key properties of 9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?

9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 367.50 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 98896743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).