(5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

C18H23N5O — CID 97395772

About (5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

(5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97395772) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: (5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
• PubChem CID: 97395772
• Molecular Formula: C18H23N5O
• Molecular Weight: 325.42 g/mol
• Exact Mass: 325.19
• IUPAC Name: (5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
• SMILES: Cn1cc(N2CC[C@]3(CCCN(Cc4ccccn4)C3)C2=O)cn1
• InChI: InChI=1S/C18H23N5O/c1-21-13-16(11-20-21)23-10-7-18(17(23)24)6-4-9-22(14-18)12-15-5-2-3-8-19-15/h2-3,5,8,11,13H,4,6-7,9-10,12,14H2,1H3/t18-/m0/s1
• InChIKey: UFQBNENLFIZBLK-SFHVURJKSA-N
• XLogP: 1.83
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.42
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?

The IUPAC name of (5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 97395772) is (5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for (5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?

The canonical SMILES for (5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is Cn1cc(N2CC[C@]3(CCCN(Cc4ccccn4)C3)C2=O)cn1.

What is the InChIKey of (5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?

The InChIKey is UFQBNENLFIZBLK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N5O/c1-21-13-16(11-20-21)23-10-7-18(17(23)24)6-4-9-22(14-18)12-15-5-2-3-8-19-15/h2-3,5,8,11,13H,4,6-7,9-10,12,14H2,1H3/t18-/m0/s1.

What are the key properties of (5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?

(5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 325.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97395772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).