(5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H21FN4O3 — CID 97124354

About (5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97124354) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is (5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: (5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 97124354
• Molecular Formula: C18H21FN4O3
• Molecular Weight: 360.39 g/mol
• Exact Mass: 360.16
• IUPAC Name: (5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: O=C(c1nc2ccccn2c1F)N1CC[C@@]2(CCCN(CCO)C2=O)C1
• InChI: InChI=1S/C18H21FN4O3/c19-15-14(20-13-4-1-2-8-23(13)15)16(25)22-9-6-18(12-22)5-3-7-21(10-11-24)17(18)26/h1-2,4,8,24H,3,5-7,9-12H2/t18-/m0/s1
• InChIKey: FSNDCZIHFWIPJP-SFHVURJKSA-N
• XLogP: 0.92
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.39
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of (5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97124354) is (5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for (5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for (5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1nc2ccccn2c1F)N1CC[C@@]2(CCCN(CCO)C2=O)C1.

What is the InChIKey of (5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is FSNDCZIHFWIPJP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21FN4O3/c19-15-14(20-13-4-1-2-8-23(13)15)16(25)22-9-6-18(12-22)5-3-7-21(10-11-24)17(18)26/h1-2,4,8,24H,3,5-7,9-12H2/t18-/m0/s1.

What are the key properties of (5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?

(5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 360.39 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97124354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).