6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C30H29Cl2N7O3 — CID 142613209

About 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 142613209) has the molecular formula C30H29Cl2N7O3 and a molecular weight of 606.51 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-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'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 142613209
• Molecular Formula: C30H29Cl2N7O3
• Molecular Weight: 606.51 g/mol
• Exact Mass: 605.17
• IUPAC Name: 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: CCN(C)c1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1
• InChI: InChI=1S/C30H29Cl2N7O3/c1-7-37(5)29-33-14-19(26(36-29)42-6)25-35-23-24(38(25)15(2)3)30(20-11-10-17(31)12-21(20)34-28(30)41)39(27(23)40)22-13-18(32)9-8-16(22)4/h8-15H,7H2,1-6H3,(H,34,41)
• InChIKey: RRBJSBFXGJYDHA-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 105.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.51
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-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'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 142613209) is 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-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'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-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'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is CCN(C)c1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1.

What is the InChIKey of 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The InChIKey is RRBJSBFXGJYDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2N7O3/c1-7-37(5)29-33-14-19(26(36-29)42-6)25-35-23-24(38(25)15(2)3)30(20-11-10-17(31)12-21(20)34-28(30)41)39(27(23)40)22-13-18(32)9-8-16(22)4/h8-15H,7H2,1-6H3,(H,34,41).

What are the key properties of 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 606.51 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 142613209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).