(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione

C50H36Cl4N4O6 — CID 158120720

IUPAC(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione
SMILESCOc1ncccc1C1=CC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.COc1ncccc1C1=C[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H](c2cccc(Cl)c2)CC1=O
InChIInChI=1S/2C25H18Cl2N2O3/c1-32-23-18(6-3-9-28-23)21-13-17(30)12-20(14-4-2-5-15(26)10-14)25(21)19-8-7-16(27)11-22(19)29-24(25)31;1-32-23-17(6-3-9-28-23)18-13-25(19-8-7-16(27)11-21(19)29-24(25)31)20(12-22(18)30)14-4-2-5-15(26)10-14/h2*2-11,13,20H,12H2,1H3,(H,29,31)/t2*20-,25-/m00/s1
InChIKeyFROMMLPDMLBOSK-OEJXCSEJSA-N
MW930.67 g/mol
LogP10.85
Rot. Bonds6

About (3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione

(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione (PubChem CID 158120720) has the molecular formula C50H36Cl4N4O6 and a molecular weight of 930.67 g/mol. Its IUPAC name is (3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione.

Molecular Properties

Compound Name(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione
PubChem CID158120720
Molecular FormulaC50H36Cl4N4O6
Molecular Weight930.67 g/mol
Exact Mass928.14
IUPAC Name(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione
SMILESCOc1ncccc1C1=CC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.COc1ncccc1C1=C[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H](c2cccc(Cl)c2)CC1=O
InChIInChI=1S/2C25H18Cl2N2O3/c1-32-23-18(6-3-9-28-23)21-13-17(30)12-20(14-4-2-5-15(26)10-14)25(21)19-8-7-16(27)11-22(19)29-24(25)31;1-32-23-17(6-3-9-28-23)18-13-25(19-8-7-16(27)11-21(19)29-24(25)31)20(12-22(18)30)14-4-2-5-15(26)10-14/h2*2-11,13,20H,12H2,1H3,(H,29,31)/t2*20-,25-/m00/s1
InChIKeyFROMMLPDMLBOSK-OEJXCSEJSA-N
XLogP10.85
TPSA136.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.67
LogP ≤ 510.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione with MolForge

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Related Compounds

(3R,5'R)-6-chloro-5'-(3-methoxyphenyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3R,5'S)-6-chloro-5'-(3-methoxyphenyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione
CID 159962006
6-chloro-4'-(3-chlorophenyl)-6'-methoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 68903435
CID 67423904
CID 67423904
(3R,3'S,5'S)-6-bromo-3'-(3-chlorophenyl)-5'-methoxyspiro[1H-indole-3,4'-cyclohexane]-1',2-dione;(3R,5'R)-6-bromo-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3R,5'S)-6-bromo-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione
CID 159572325
(4'S)-6-chloro-4'-(3-chlorophenyl)-6'-propan-2-yloxyspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 90990746
6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 138051431
6-chloro-4'-(3-chlorophenyl)-6'-phenylspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 91616341
(3S,4'S,6'R)-4'-but-2-en-2-yl-6-chloro-6'-(3-chlorophenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 68907240
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 159798374
(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 24875700
6-bromo-6'-(3-chlorophenyl)-4'-methoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 68908407
(3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 67212969

Frequently Asked Questions

What is the IUPAC name of (3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione?
The IUPAC name of (3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione (CID 158120720) is (3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione.
What is the SMILES notation for (3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione?
The canonical SMILES for (3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione is COc1ncccc1C1=CC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.COc1ncccc1C1=C[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H](c2cccc(Cl)c2)CC1=O.
What is the InChIKey of (3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione?
The InChIKey is FROMMLPDMLBOSK-OEJXCSEJSA-N. The full InChI is InChI=1S/2C25H18Cl2N2O3/c1-32-23-18(6-3-9-28-23)21-13-17(30)12-20(14-4-2-5-15(26)10-14)25(21)19-8-7-16(27)11-22(19)29-24(25)31;1-32-23-17(6-3-9-28-23)18-13-25(19-8-7-16(27)11-21(19)29-24(25)31)20(12-22(18)30)14-4-2-5-15(26)10-14/h2*2-11,13,20H,12H2,1H3,(H,29,31)/t2*20-,25-/m00/s1.
What are the key properties of (3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione?
(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione has a molecular weight of 930.67 g/mol, XLogP of 10.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5'S)-6-chloro-5'-(3-chlorophenyl)-2'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3S,5'S)-6-chloro-5'-(3-chlorophenyl)-3'-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione is sourced from PubChem (CID 158120720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).