6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one

C18H23N5O2S — CID 118743303

About 6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one

6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118743303) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

• Compound Name: 6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
• PubChem CID: 118743303
• Molecular Formula: C18H23N5O2S
• Molecular Weight: 373.48 g/mol
• Exact Mass: 373.16
• IUPAC Name: 6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
• SMILES: CC(=O)N1CC(=O)N(c2cnn(C)c2)CC12CCN(Cc1cccs1)C2
• InChI: InChI=1S/C18H23N5O2S/c1-14(24)23-11-17(25)22(15-8-19-20(2)9-15)13-18(23)5-6-21(12-18)10-16-4-3-7-26-16/h3-4,7-9H,5-6,10-13H2,1-2H3
• InChIKey: HVSAEGGINSGPQT-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 61.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.48
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?

The IUPAC name of 6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 118743303) is 6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.

What is the SMILES notation for 6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?

The canonical SMILES for 6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is CC(=O)N1CC(=O)N(c2cnn(C)c2)CC12CCN(Cc1cccs1)C2.

What is the InChIKey of 6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?

The InChIKey is HVSAEGGINSGPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-14(24)23-11-17(25)22(15-8-19-20(2)9-15)13-18(23)5-6-21(12-18)10-16-4-3-7-26-16/h3-4,7-9H,5-6,10-13H2,1-2H3.

What are the key properties of 6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?

6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 373.48 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118743303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).