3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one

C23H30N4O3 — CID 176504885

About 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one

3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 176504885) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
• PubChem CID: 176504885
• Molecular Formula: C23H30N4O3
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.23
• IUPAC Name: 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
• SMILES: CC1(C)CCN(CC2CC3(CCN(C(=O)c4ccn5ccnc5c4)CC3)C(=O)O2)C1
• InChI: InChI=1S/C23H30N4O3/c1-22(2)4-9-25(16-22)15-18-14-23(21(29)30-18)5-10-27(11-6-23)20(28)17-3-8-26-12-7-24-19(26)13-17/h3,7-8,12-13,18H,4-6,9-11,14-16H2,1-2H3
• InChIKey: QKGDNTNLVDPYHQ-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

The IUPAC name of 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one (CID 176504885) is 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one.

What is the SMILES notation for 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

The canonical SMILES for 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one is CC1(C)CCN(CC2CC3(CCN(C(=O)c4ccn5ccnc5c4)CC3)C(=O)O2)C1.

What is the InChIKey of 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

The InChIKey is QKGDNTNLVDPYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-22(2)4-9-25(16-22)15-18-14-23(21(29)30-18)5-10-27(11-6-23)20(28)17-3-8-26-12-7-24-19(26)13-17/h3,7-8,12-13,18H,4-6,9-11,14-16H2,1-2H3.

What are the key properties of 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 410.52 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 176504885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).