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

C30H23Cl2F3N4O4 — CID 151248135

About (3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-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'-[2-methoxy-4-(trifluoromethoxy)phenyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 151248135) has the molecular formula C30H23Cl2F3N4O4 and a molecular weight of 631.44 g/mol. Its IUPAC name is (3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-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'-[2-methoxy-4-(trifluoromethoxy)phenyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 151248135
• Molecular Formula: C30H23Cl2F3N4O4
• Molecular Weight: 631.44 g/mol
• Exact Mass: 630.10
• IUPAC Name: (3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: COc1cc(OC(F)(F)F)ccc1-c1nc2c(n1C(C)C)[C@@]1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O
• InChI: InChI=1S/C30H23Cl2F3N4O4/c1-14(2)38-25-24(37-26(38)19-9-8-18(13-23(19)42-4)43-30(33,34)35)27(40)39(22-12-17(32)6-5-15(22)3)29(25)20-10-7-16(31)11-21(20)36-28(29)41/h5-14H,1-4H3,(H,36,41)/t29-/m0/s1
• InChIKey: NRSVMLVVKHHBCU-LJAQVGFWSA-N
• XLogP: 7.51
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.44
LogP ≤ 5	7.51
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'-[2-methoxy-4-(trifluoromethoxy)phenyl]-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'-[2-methoxy-4-(trifluoromethoxy)phenyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 151248135) is (3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-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'-[2-methoxy-4-(trifluoromethoxy)phenyl]-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'-[2-methoxy-4-(trifluoromethoxy)phenyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is COc1cc(OC(F)(F)F)ccc1-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'-[2-methoxy-4-(trifluoromethoxy)phenyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The InChIKey is NRSVMLVVKHHBCU-LJAQVGFWSA-N. The full InChI is InChI=1S/C30H23Cl2F3N4O4/c1-14(2)38-25-24(37-26(38)19-9-8-18(13-23(19)42-4)43-30(33,34)35)27(40)39(22-12-17(32)6-5-15(22)3)29(25)20-10-7-16(31)11-21(20)36-28(29)41/h5-14H,1-4H3,(H,36,41)/t29-/m0/s1.

What are the key properties of (3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-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'-[2-methoxy-4-(trifluoromethoxy)phenyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 631.44 g/mol, XLogP of 7.51, 5 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'-[2-methoxy-4-(trifluoromethoxy)phenyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 151248135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).