2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C24H21ClF2N4O3 — CID 118389867

About 2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118389867) has the molecular formula C24H21ClF2N4O3 and a molecular weight of 486.91 g/mol. Its IUPAC name is 2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

• Compound Name: 2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• PubChem CID: 118389867
• Molecular Formula: C24H21ClF2N4O3
• Molecular Weight: 486.91 g/mol
• Exact Mass: 486.13
• IUPAC Name: 2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• SMILES: Cc1cn(-c2ccc3n(c2=O)CCN(CC2=CC(C)(C)Oc4c2cc(Cl)c(F)c4F)C3=O)cn1
• InChI: InChI=1S/C24H21ClF2N4O3/c1-13-10-30(12-28-13)17-4-5-18-22(32)29(6-7-31(18)23(17)33)11-14-9-24(2,3)34-21-15(14)8-16(25)19(26)20(21)27/h4-5,8-10,12H,6-7,11H2,1-3H3
• InChIKey: WHZCQMXTZRFXSN-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 69.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.91
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

The IUPAC name of 2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118389867) is 2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

What is the SMILES notation for 2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

The canonical SMILES for 2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(CC2=CC(C)(C)Oc4c2cc(Cl)c(F)c4F)C3=O)cn1.

What is the InChIKey of 2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

The InChIKey is WHZCQMXTZRFXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF2N4O3/c1-13-10-30(12-28-13)17-4-5-18-22(32)29(6-7-31(18)23(17)33)11-14-9-24(2,3)34-21-15(14)8-16(25)19(26)20(21)27/h4-5,8-10,12H,6-7,11H2,1-3H3.

What are the key properties of 2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 486.91 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118389867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).