6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(4-cyclopropyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C31H27Cl2N5O3 — CID 142613130

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

6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(4-cyclopropyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 142613130) has the molecular formula C31H27Cl2N5O3 and a molecular weight of 588.50 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(4-cyclopropyl-2-methoxyphenyl)-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-methyl-3-pyridinyl)-2'-(4-cyclopropyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 142613130
• Molecular Formula: C31H27Cl2N5O3
• Molecular Weight: 588.50 g/mol
• Exact Mass: 587.15
• IUPAC Name: 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(4-cyclopropyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: COc1cc(C2CC2)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)cnc1C)C2=O
• InChI: InChI=1S/C31H27Cl2N5O3/c1-15(2)37-27-26(36-28(37)21-9-7-18(17-5-6-17)11-25(21)41-4)29(39)38(24-13-20(33)14-34-16(24)3)31(27)22-10-8-19(32)12-23(22)35-30(31)40/h7-15,17H,5-6H2,1-4H3,(H,35,40)
• InChIKey: QILNPQKTEPYPDD-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.50
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(4-cyclopropyl-2-methoxyphenyl)-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-methyl-3-pyridinyl)-2'-(4-cyclopropyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 142613130) is 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(4-cyclopropyl-2-methoxyphenyl)-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-methyl-3-pyridinyl)-2'-(4-cyclopropyl-2-methoxyphenyl)-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-methyl-3-pyridinyl)-2'-(4-cyclopropyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is COc1cc(C2CC2)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)cnc1C)C2=O.

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

The InChIKey is QILNPQKTEPYPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27Cl2N5O3/c1-15(2)37-27-26(36-28(37)21-9-7-18(17-5-6-17)11-25(21)41-4)29(39)38(24-13-20(33)14-34-16(24)3)31(27)22-10-8-19(32)12-23(22)35-30(31)40/h7-15,17H,5-6H2,1-4H3,(H,35,40).

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

6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(4-cyclopropyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 588.50 g/mol, XLogP of 6.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(4-cyclopropyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 142613130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).