4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C19H23N5O2 — CID 131643239

About 4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131643239) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 131643239
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: 4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
• SMILES: Cc1cccc(C(=O)N2CCC3(CC2)NC(=O)CC3c2cnn(C)c2)n1
• InChI: InChI=1S/C19H23N5O2/c1-13-4-3-5-16(21-13)18(26)24-8-6-19(7-9-24)15(10-17(25)22-19)14-11-20-23(2)12-14/h3-5,11-12,15H,6-10H2,1-2H3,(H,22,25)
• InChIKey: IYDVNEBMWDHQKF-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 131643239) is 4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is Cc1cccc(C(=O)N2CCC3(CC2)NC(=O)CC3c2cnn(C)c2)n1.

What is the InChIKey of 4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?

The InChIKey is IYDVNEBMWDHQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-4-3-5-16(21-13)18(26)24-8-6-19(7-9-24)15(10-17(25)22-19)14-11-20-23(2)12-14/h3-5,11-12,15H,6-10H2,1-2H3,(H,22,25).

What are the key properties of 4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?

4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131643239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).