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

C30H25Cl2F2N5O4 — CID 142613163

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

6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 142613163) has the molecular formula C30H25Cl2F2N5O4 and a molecular weight of 628.46 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 142613163
• Molecular Formula: C30H25Cl2F2N5O4
• Molecular Weight: 628.46 g/mol
• Exact Mass: 627.13
• IUPAC Name: 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: COc1cc(OCC(F)F)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O
• InChI: InChI=1S/C30H25Cl2F2N5O4/c1-14(2)38-26-25(37-27(38)18-12-35-24(11-22(18)42-4)43-13-23(33)34)28(40)39(21-10-17(32)6-5-15(21)3)30(26)19-8-7-16(31)9-20(19)36-29(30)41/h5-12,14,23H,13H2,1-4H3,(H,36,41)
• InChIKey: OHGVDJYUICKTBY-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.46
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 142613163) is 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is COc1cc(OCC(F)F)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O.

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

The InChIKey is OHGVDJYUICKTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl2F2N5O4/c1-14(2)38-26-25(37-27(38)18-12-35-24(11-22(18)42-4)43-13-23(33)34)28(40)39(21-10-17(32)6-5-15(21)3)30(26)19-8-7-16(31)9-20(19)36-29(30)41/h5-12,14,23H,13H2,1-4H3,(H,36,41).

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

6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-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 628.46 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-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 142613163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).