7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one

C24H23FN4O2 — CID 123545740

About 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one

7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one (PubChem CID 123545740) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one.

Molecular Properties

• Compound Name: 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one
• PubChem CID: 123545740
• Molecular Formula: C24H23FN4O2
• Molecular Weight: 418.47 g/mol
• Exact Mass: 418.18
• IUPAC Name: 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one
• SMILES: Cc1cn2cc(-c3cc4ccc(N5CCN6CCCC6C5)cc4oc3=O)cc(F)c2n1
• InChI: InChI=1S/C24H23FN4O2/c1-15-12-29-13-17(10-21(25)23(29)26-15)20-9-16-4-5-18(11-22(16)31-24(20)30)28-8-7-27-6-2-3-19(27)14-28/h4-5,9-13,19H,2-3,6-8,14H2,1H3
• InChIKey: MWNKNIDRCMAMNW-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 53.99 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.47
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one?

The IUPAC name of 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one (CID 123545740) is 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one.

What is the SMILES notation for 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one?

The canonical SMILES for 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one is Cc1cn2cc(-c3cc4ccc(N5CCN6CCCC6C5)cc4oc3=O)cc(F)c2n1.

What is the InChIKey of 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one?

The InChIKey is MWNKNIDRCMAMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-15-12-29-13-17(10-21(25)23(29)26-15)20-9-16-4-5-18(11-22(16)31-24(20)30)28-8-7-27-6-2-3-19(27)14-28/h4-5,9-13,19H,2-3,6-8,14H2,1H3.

What are the key properties of 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one?

7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one has a molecular weight of 418.47 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one is sourced from PubChem (CID 123545740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).