5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one

C35H37Cl2N3O5 — CID 20610854

About 5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one

5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one (PubChem CID 20610854) has the molecular formula C35H37Cl2N3O5 and a molecular weight of 650.60 g/mol. Its IUPAC name is 5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one.

Molecular Properties

• Compound Name: 5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
• PubChem CID: 20610854
• Molecular Formula: C35H37Cl2N3O5
• Molecular Weight: 650.60 g/mol
• Exact Mass: 649.21
• IUPAC Name: 5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
• SMILES: COc1ccc(CN2C(=O)C(C)(c3cc(C(=O)N4CCCC[C@@H]4C(=O)N4CCCC4)ccc3Cl)c3cc(Cl)ccc32)c(OC)c1
• InChI: InChI=1S/C35H37Cl2N3O5/c1-35(27-19-24(36)11-14-29(27)40(34(35)43)21-23-9-12-25(44-2)20-31(23)45-3)26-18-22(10-13-28(26)37)32(41)39-17-5-4-8-30(39)33(42)38-15-6-7-16-38/h9-14,18-20,30H,4-8,15-17,21H2,1-3H3/t30-,35?/m1/s1
• InChIKey: DWCUTDYYCHQWEA-OSRRZMJMSA-N
• XLogP: 6.48
• TPSA: 79.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.60
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?

The IUPAC name of 5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one (CID 20610854) is 5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one.

What is the SMILES notation for 5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?

The canonical SMILES for 5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one is COc1ccc(CN2C(=O)C(C)(c3cc(C(=O)N4CCCC[C@@H]4C(=O)N4CCCC4)ccc3Cl)c3cc(Cl)ccc32)c(OC)c1.

What is the InChIKey of 5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?

The InChIKey is DWCUTDYYCHQWEA-OSRRZMJMSA-N. The full InChI is InChI=1S/C35H37Cl2N3O5/c1-35(27-19-24(36)11-14-29(27)40(34(35)43)21-23-9-12-25(44-2)20-31(23)45-3)26-18-22(10-13-28(26)37)32(41)39-17-5-4-8-30(39)33(42)38-15-6-7-16-38/h9-14,18-20,30H,4-8,15-17,21H2,1-3H3/t30-,35?/m1/s1.

What are the key properties of 5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?

5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one has a molecular weight of 650.60 g/mol, XLogP of 6.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one is sourced from PubChem (CID 20610854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).