1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C33H24FN3O4 — CID 18869988

About 1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18869988) has the molecular formula C33H24FN3O4 and a molecular weight of 545.57 g/mol. Its IUPAC name is 1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18869988
• Molecular Formula: C33H24FN3O4
• Molecular Weight: 545.57 g/mol
• Exact Mass: 545.18
• IUPAC Name: 1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C23C(=O)N(Cc2ccccc2F)c2ccccc23)c1
• InChI: InChI=1S/C33H24FN3O4/c1-18-12-13-35-27(14-18)37-31(39)30-28(29(38)22-15-19(2)20(3)16-26(22)41-30)33(37)23-9-5-7-11-25(23)36(32(33)40)17-21-8-4-6-10-24(21)34/h4-16H,17H2,1-3H3
• InChIKey: WXVMNVJVGPYQSK-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 83.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.57
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The IUPAC name of 1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18869988) is 1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

What is the SMILES notation for 1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The canonical SMILES for 1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C23C(=O)N(Cc2ccccc2F)c2ccccc23)c1.

What is the InChIKey of 1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The InChIKey is WXVMNVJVGPYQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24FN3O4/c1-18-12-13-35-27(14-18)37-31(39)30-28(29(38)22-15-19(2)20(3)16-26(22)41-30)33(37)23-9-5-7-11-25(23)36(32(33)40)17-21-8-4-6-10-24(21)34/h4-16H,17H2,1-3H3.

What are the key properties of 1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 545.57 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18869988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).