9-(6-methylpyridazin-3-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one

C19H29N5O — CID 72857885

About 9-(6-methylpyridazin-3-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one

9-(6-methylpyridazin-3-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72857885) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 9-(6-methylpyridazin-3-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-(6-methylpyridazin-3-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72857885
• Molecular Formula: C19H29N5O
• Molecular Weight: 343.48 g/mol
• Exact Mass: 343.24
• IUPAC Name: 9-(6-methylpyridazin-3-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1ccc(N2CCC3(CCC(=O)N(C4CCN(C)C4)C3)CC2)nn1
• InChI: InChI=1S/C19H29N5O/c1-15-3-4-17(21-20-15)23-11-8-19(9-12-23)7-5-18(25)24(14-19)16-6-10-22(2)13-16/h3-4,16H,5-14H2,1-2H3
• InChIKey: CTSIBQDGNCSUOS-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 52.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.48
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-(6-methylpyridazin-3-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72857885) is 9-(6-methylpyridazin-3-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one.

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

The canonical SMILES for 9-(6-methylpyridazin-3-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1ccc(N2CCC3(CCC(=O)N(C4CCN(C)C4)C3)CC2)nn1.

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

The InChIKey is CTSIBQDGNCSUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-15-3-4-17(21-20-15)23-11-8-19(9-12-23)7-5-18(25)24(14-19)16-6-10-22(2)13-16/h3-4,16H,5-14H2,1-2H3.

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

9-(6-methylpyridazin-3-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 343.48 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(6-methylpyridazin-3-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72857885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).