(6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H25N5O — CID 95870283

About (6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95870283) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is (6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 95870283
• Molecular Formula: C20H25N5O
• Molecular Weight: 351.45 g/mol
• Exact Mass: 351.21
• IUPAC Name: (6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nn1
• InChI: InChI=1S/C20H25N5O/c1-16-5-6-18(23-22-16)24-11-3-8-20(14-24)9-7-19(26)25(15-20)13-17-4-2-10-21-12-17/h2,4-6,10,12H,3,7-9,11,13-15H2,1H3/t20-/m1/s1
• InChIKey: MKQHAJDUENLLPQ-HXUWFJFHSA-N
• XLogP: 2.59
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.45
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95870283) is (6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nn1.

What is the InChIKey of (6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is MKQHAJDUENLLPQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25N5O/c1-16-5-6-18(23-22-16)24-11-3-8-20(14-24)9-7-19(26)25(15-20)13-17-4-2-10-21-12-17/h2,4-6,10,12H,3,7-9,11,13-15H2,1H3/t20-/m1/s1.

What are the key properties of (6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

(6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 351.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95870283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).