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

C32H22FN3O4 — CID 18868390

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

7-fluoro-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868390) has the molecular formula C32H22FN3O4 and a molecular weight of 531.54 g/mol. Its IUPAC name is 7-fluoro-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 7-fluoro-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18868390
• Molecular Formula: C32H22FN3O4
• Molecular Weight: 531.54 g/mol
• Exact Mass: 531.16
• IUPAC Name: 7-fluoro-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: Cc1ccc(CN2C(=O)C3(c4ccccc42)c2c(oc4ccc(F)cc4c2=O)C(=O)N3c2cc(C)ccn2)cc1
• InChI: InChI=1S/C32H22FN3O4/c1-18-7-9-20(10-8-18)17-35-24-6-4-3-5-23(24)32(31(35)39)27-28(37)22-16-21(33)11-12-25(22)40-29(27)30(38)36(32)26-15-19(2)13-14-34-26/h3-16H,17H2,1-2H3
• InChIKey: NEYJXIGDAUIDAP-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 83.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.54
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-fluoro-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868390) is 7-fluoro-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

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

The canonical SMILES for 7-fluoro-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1ccc(CN2C(=O)C3(c4ccccc42)c2c(oc4ccc(F)cc4c2=O)C(=O)N3c2cc(C)ccn2)cc1.

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

The InChIKey is NEYJXIGDAUIDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22FN3O4/c1-18-7-9-20(10-8-18)17-35-24-6-4-3-5-23(24)32(31(35)39)27-28(37)22-16-21(33)11-12-25(22)40-29(27)30(38)36(32)26-15-19(2)13-14-34-26/h3-16H,17H2,1-2H3.

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

7-fluoro-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 531.54 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).