(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C34H35Cl2F2N3O4 — CID 24949275

IUPAC(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCC(C)Oc1ccc(F)c(F)c1[C@H]1N(CCCN2CCOCC2)C(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C34H35Cl2F2N3O4/c1-20(2)45-28-10-9-26(37)31(38)30(28)32-34(24-8-7-23(36)18-27(24)39-33(34)43)25(21-5-3-6-22(35)17-21)19-29(42)41(32)12-4-11-40-13-15-44-16-14-40/h3,5-10,17-18,20,25,32H,4,11-16,19H2,1-2H3,(H,39,43)/t25-,32+,34-/m0/s1
InChIKeyKANKSHVXXKXNGA-WQNHRVCHSA-N
MW658.57 g/mol
LogP6.73
Rot. Bonds8

About (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 24949275) has the molecular formula C34H35Cl2F2N3O4 and a molecular weight of 658.57 g/mol. Its IUPAC name is (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID24949275
Molecular FormulaC34H35Cl2F2N3O4
Molecular Weight658.57 g/mol
Exact Mass657.20
IUPAC Name(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCC(C)Oc1ccc(F)c(F)c1[C@H]1N(CCCN2CCOCC2)C(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C34H35Cl2F2N3O4/c1-20(2)45-28-10-9-26(37)31(38)30(28)32-34(24-8-7-23(36)18-27(24)39-33(34)43)25(21-5-3-6-22(35)17-21)19-29(42)41(32)12-4-11-40-13-15-44-16-14-40/h3,5-10,17-18,20,25,32H,4,11-16,19H2,1-2H3,(H,39,43)/t25-,32+,34-/m0/s1
InChIKeyKANKSHVXXKXNGA-WQNHRVCHSA-N
XLogP6.73
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.57
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 24949275) is (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is CC(C)Oc1ccc(F)c(F)c1[C@H]1N(CCCN2CCOCC2)C(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is KANKSHVXXKXNGA-WQNHRVCHSA-N. The full InChI is InChI=1S/C34H35Cl2F2N3O4/c1-20(2)45-28-10-9-26(37)31(38)30(28)32-34(24-8-7-23(36)18-27(24)39-33(34)43)25(21-5-3-6-22(35)17-21)19-29(42)41(32)12-4-11-40-13-15-44-16-14-40/h3,5-10,17-18,20,25,32H,4,11-16,19H2,1-2H3,(H,39,43)/t25-,32+,34-/m0/s1.
What are the key properties of (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 658.57 g/mol, XLogP of 6.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)-1'-(3-morpholin-4-ylpropyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 24949275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).