methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

C31H19ClFN3O6S — CID 18868170

About methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 18868170) has the molecular formula C31H19ClFN3O6S and a molecular weight of 616.03 g/mol. Its IUPAC name is methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
• PubChem CID: 18868170
• Molecular Formula: C31H19ClFN3O6S
• Molecular Weight: 616.03 g/mol
• Exact Mass: 615.07
• IUPAC Name: methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
• SMILES: COC(=O)c1sc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C23C(=O)N(Cc2ccccc2F)c2ccccc23)nc1C
• InChI: InChI=1S/C31H19ClFN3O6S/c1-15-26(28(39)41-2)43-30(34-15)36-27(38)25-23(24(37)18-13-17(32)11-12-22(18)42-25)31(36)19-8-4-6-10-21(19)35(29(31)40)14-16-7-3-5-9-20(16)33/h3-13H,14H2,1-2H3
• InChIKey: UOFCXEVEBLUQFF-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 110.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.03
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The IUPAC name of methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 18868170) is methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.

What is the SMILES notation for methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The canonical SMILES for methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C23C(=O)N(Cc2ccccc2F)c2ccccc23)nc1C.

What is the InChIKey of methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The InChIKey is UOFCXEVEBLUQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19ClFN3O6S/c1-15-26(28(39)41-2)43-30(34-15)36-27(38)25-23(24(37)18-13-17(32)11-12-22(18)42-25)31(36)19-8-4-6-10-21(19)35(29(31)40)14-16-7-3-5-9-20(16)33/h3-13H,14H2,1-2H3.

What are the key properties of methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 616.03 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[7-chloro-1'-[(2-fluorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18868170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).