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

C29H25Cl2N5O3 — CID 150976754

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

(3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-6-methyl-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 150976754) has the molecular formula C29H25Cl2N5O3 and a molecular weight of 562.46 g/mol. Its IUPAC name is (3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-6-methyl-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

• Compound Name: (3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-6-methyl-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 150976754
• Molecular Formula: C29H25Cl2N5O3
• Molecular Weight: 562.46 g/mol
• Exact Mass: 561.13
• IUPAC Name: (3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-6-methyl-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: COc1cc(C)ncc1-c1nc2c(n1C(C)C)[C@@]1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O
• InChI: InChI=1S/C29H25Cl2N5O3/c1-14(2)35-25-24(34-26(35)19-13-32-16(4)10-23(19)39-5)27(37)36(22-12-18(31)7-6-15(22)3)29(25)20-9-8-17(30)11-21(20)33-28(29)38/h6-14H,1-5H3,(H,33,38)/t29-/m0/s1
• InChIKey: LPGGJHZZEMHXBU-LJAQVGFWSA-N
• XLogP: 6.31
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.46
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-6-methyl-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 150976754) is (3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-6-methyl-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

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

The canonical SMILES for (3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-6-methyl-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is COc1cc(C)ncc1-c1nc2c(n1C(C)C)[C@@]1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O.

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

The InChIKey is LPGGJHZZEMHXBU-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H25Cl2N5O3/c1-14(2)35-25-24(34-26(35)19-13-32-16(4)10-23(19)39-5)27(37)36(22-12-18(31)7-6-15(22)3)29(25)20-9-8-17(30)11-21(20)33-28(29)38/h6-14H,1-5H3,(H,33,38)/t29-/m0/s1.

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

(3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-6-methyl-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 562.46 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-6-methyl-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 150976754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).