(3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C34H32Cl2F3N3O4 — CID 42630320

IUPAC(3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCc1ccc(F)cc1[C@@H]1NC(=O)C[C@H](c2cc(Cl)ccc2OC(C)(C)C(=O)N2CCC(F)(F)CC2)[C@@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C34H32Cl2F3N3O4/c1-18-4-7-21(37)16-22(18)29-34(24-8-5-20(36)15-26(24)40-30(34)44)25(17-28(43)41-29)23-14-19(35)6-9-27(23)46-32(2,3)31(45)42-12-10-33(38,39)11-13-42/h4-9,14-16,25,29H,10-13,17H2,1-3H3,(H,40,44)(H,41,43)/t25-,29+,34-/m1/s1
InChIKeyISGVZWCNNVTXLH-CDKXIZBOSA-N
MW674.55 g/mol
LogP7.09
Rot. Bonds5

About (3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

(3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 42630320) has the molecular formula C34H32Cl2F3N3O4 and a molecular weight of 674.55 g/mol. Its IUPAC name is (3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name(3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID42630320
Molecular FormulaC34H32Cl2F3N3O4
Molecular Weight674.55 g/mol
Exact Mass673.17
IUPAC Name(3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCc1ccc(F)cc1[C@@H]1NC(=O)C[C@H](c2cc(Cl)ccc2OC(C)(C)C(=O)N2CCC(F)(F)CC2)[C@@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C34H32Cl2F3N3O4/c1-18-4-7-21(37)16-22(18)29-34(24-8-5-20(36)15-26(24)40-30(34)44)25(17-28(43)41-29)23-14-19(35)6-9-27(23)46-32(2,3)31(45)42-12-10-33(38,39)11-13-42/h4-9,14-16,25,29H,10-13,17H2,1-3H3,(H,40,44)(H,41,43)/t25-,29+,34-/m1/s1
InChIKeyISGVZWCNNVTXLH-CDKXIZBOSA-N
XLogP7.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.55
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of (3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 42630320) is (3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for (3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for (3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is Cc1ccc(F)cc1[C@@H]1NC(=O)C[C@H](c2cc(Cl)ccc2OC(C)(C)C(=O)N2CCC(F)(F)CC2)[C@@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is ISGVZWCNNVTXLH-CDKXIZBOSA-N. The full InChI is InChI=1S/C34H32Cl2F3N3O4/c1-18-4-7-21(37)16-22(18)29-34(24-8-5-20(36)15-26(24)40-30(34)44)25(17-28(43)41-29)23-14-19(35)6-9-27(23)46-32(2,3)31(45)42-12-10-33(38,39)11-13-42/h4-9,14-16,25,29H,10-13,17H2,1-3H3,(H,40,44)(H,41,43)/t25-,29+,34-/m1/s1.
What are the key properties of (3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
(3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 674.55 g/mol, XLogP of 7.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4'R,6'S)-6-chloro-4'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 42630320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).