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

C17H20N6O2 — CID 97391794

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

(4S)-4-(1-methylpyrazol-4-yl)-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97391794) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (4S)-4-(1-methylpyrazol-4-yl)-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: (4S)-4-(1-methylpyrazol-4-yl)-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 97391794
• Molecular Formula: C17H20N6O2
• Molecular Weight: 340.39 g/mol
• Exact Mass: 340.16
• IUPAC Name: (4S)-4-(1-methylpyrazol-4-yl)-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
• SMILES: Cn1cc([C@@H]2CC(=O)NC23CCN(C(=O)c2cnccn2)CC3)cn1
• InChI: InChI=1S/C17H20N6O2/c1-22-11-12(9-20-22)13-8-15(24)21-17(13)2-6-23(7-3-17)16(25)14-10-18-4-5-19-14/h4-5,9-11,13H,2-3,6-8H2,1H3,(H,21,24)/t13-/m0/s1
• InChIKey: MYWPYZDOZJPOBD-ZDUSSCGKSA-N
• XLogP: 0.49
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.39
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4S)-4-(1-methylpyrazol-4-yl)-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97391794) is (4S)-4-(1-methylpyrazol-4-yl)-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

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

The canonical SMILES for (4S)-4-(1-methylpyrazol-4-yl)-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is Cn1cc([C@@H]2CC(=O)NC23CCN(C(=O)c2cnccn2)CC3)cn1.

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

The InChIKey is MYWPYZDOZJPOBD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-22-11-12(9-20-22)13-8-15(24)21-17(13)2-6-23(7-3-17)16(25)14-10-18-4-5-19-14/h4-5,9-11,13H,2-3,6-8H2,1H3,(H,21,24)/t13-/m0/s1.

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

(4S)-4-(1-methylpyrazol-4-yl)-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 340.39 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-(1-methylpyrazol-4-yl)-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97391794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).