3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C29H33N7O4 — CID 164620144

About 3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 164620144) has the molecular formula C29H33N7O4 and a molecular weight of 543.63 g/mol. Its IUPAC name is 3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 164620144
• Molecular Formula: C29H33N7O4
• Molecular Weight: 543.63 g/mol
• Exact Mass: 543.26
• IUPAC Name: 3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(c5nccn6ccnc56)CC4)C3=O)c(=O)oc2c1
• InChI: InChI=1S/C29H33N7O4/c1-4-33(5-2)20-6-7-21-19(3)22(26(37)40-23(21)18-20)8-13-36-27(38)29(32-28(36)39)9-14-34(15-10-29)24-25-31-12-17-35(25)16-11-30-24/h6-7,11-12,16-18H,4-5,8-10,13-15H2,1-3H3,(H,32,39)
• InChIKey: VZTWGBYUWSOBFR-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 116.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.63
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 164620144) is 3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(c5nccn6ccnc56)CC4)C3=O)c(=O)oc2c1.

What is the InChIKey of 3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is VZTWGBYUWSOBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O4/c1-4-33(5-2)20-6-7-21-19(3)22(26(37)40-23(21)18-20)8-13-36-27(38)29(32-28(36)39)9-14-34(15-10-29)24-25-31-12-17-35(25)16-11-30-24/h6-7,11-12,16-18H,4-5,8-10,13-15H2,1-3H3,(H,32,39).

What are the key properties of 3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 543.63 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-imidazo[1,2-a]pyrazin-8-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 164620144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).