8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid

C23H24ClN5O4 — CID 155870802

About 8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid

8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid (PubChem CID 155870802) has the molecular formula C23H24ClN5O4 and a molecular weight of 469.93 g/mol. Its IUPAC name is 8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid.

Molecular Properties

• Compound Name: 8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid
• PubChem CID: 155870802
• Molecular Formula: C23H24ClN5O4
• Molecular Weight: 469.93 g/mol
• Exact Mass: 469.15
• IUPAC Name: 8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid
• SMILES: O=C1CC2(CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)CN1Cc1ccncc1.O=CO
• InChI: InChI=1S/C22H22ClN5O2.CH2O2/c23-17-1-2-19-25-18(14-27(19)13-17)21(30)26-9-5-22(6-10-26)11-20(29)28(15-22)12-16-3-7-24-8-4-16;2-1-3/h1-4,7-8,13-14H,5-6,9-12,15H2;1H,(H,2,3)
• InChIKey: UACOVKXWUCYNPT-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 108.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.93
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid?

The IUPAC name of 8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid (CID 155870802) is 8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid.

What is the SMILES notation for 8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid?

The canonical SMILES for 8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid is O=C1CC2(CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)CN1Cc1ccncc1.O=CO.

What is the InChIKey of 8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid?

The InChIKey is UACOVKXWUCYNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2.CH2O2/c23-17-1-2-19-25-18(14-27(19)13-17)21(30)26-9-5-22(6-10-26)11-20(29)28(15-22)12-16-3-7-24-8-4-16;2-1-3/h1-4,7-8,13-14H,5-6,9-12,15H2;1H,(H,2,3).

What are the key properties of 8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid?

8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid has a molecular weight of 469.93 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid is sourced from PubChem (CID 155870802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).