6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C29H24Cl2FN5O4 — CID 142613084

About 6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 142613084) has the molecular formula C29H24Cl2FN5O4 and a molecular weight of 596.45 g/mol. Its IUPAC name is 6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

• Compound Name: 6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 142613084
• Molecular Formula: C29H24Cl2FN5O4
• Molecular Weight: 596.45 g/mol
• Exact Mass: 595.12
• IUPAC Name: 6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: COc1cc(OCCF)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cccc(Cl)c1)C2=O
• InChI: InChI=1S/C29H24Cl2FN5O4/c1-15(2)36-25-24(35-26(36)19-14-33-23(41-10-9-32)13-22(19)40-3)27(38)37(18-6-4-5-16(30)11-18)29(25)20-8-7-17(31)12-21(20)34-28(29)39/h4-8,11-15H,9-10H2,1-3H3,(H,34,39)
• InChIKey: HPAFINLISKMLCO-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.45
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The IUPAC name of 6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 142613084) is 6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

What is the SMILES notation for 6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The canonical SMILES for 6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is COc1cc(OCCF)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cccc(Cl)c1)C2=O.

What is the InChIKey of 6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The InChIKey is HPAFINLISKMLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2FN5O4/c1-15(2)36-25-24(35-26(36)19-14-33-23(41-10-9-32)13-22(19)40-3)27(38)37(18-6-4-5-16(30)11-18)29(25)20-8-7-17(31)12-21(20)34-28(29)39/h4-8,11-15H,9-10H2,1-3H3,(H,34,39).

What are the key properties of 6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 596.45 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5'-(3-chlorophenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 142613084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).