2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide

C24H23ClN4O5 — CID 124540212

IUPAC2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
SMILESCOc1ccc(CN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@H]3C2=O)cc1
InChIInChI=1S/C24H23ClN4O5/c1-11-7-13(25)8-15-20(11)27-23(33)24(15)19-18(16(28-24)9-17(26)30)21(31)29(22(19)32)10-12-3-5-14(34-2)6-4-12/h3-8,16,18-19,28H,9-10H2,1-2H3,(H2,26,30)(H,27,33)/t16-,18+,19+,24+/m0/s1
InChIKeyRTLALERPMMDQFG-AVDZWTPASA-N
MW482.92 g/mol
LogP1.45
Rot. Bonds5

About 2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide

2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide (PubChem CID 124540212) has the molecular formula C24H23ClN4O5 and a molecular weight of 482.92 g/mol. Its IUPAC name is 2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide.

Molecular Properties

Compound Name2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
PubChem CID124540212
Molecular FormulaC24H23ClN4O5
Molecular Weight482.92 g/mol
Exact Mass482.14
IUPAC Name2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
SMILESCOc1ccc(CN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@H]3C2=O)cc1
InChIInChI=1S/C24H23ClN4O5/c1-11-7-13(25)8-15-20(11)27-23(33)24(15)19-18(16(28-24)9-17(26)30)21(31)29(22(19)32)10-12-3-5-14(34-2)6-4-12/h3-8,16,18-19,28H,9-10H2,1-2H3,(H2,26,30)(H,27,33)/t16-,18+,19+,24+/m0/s1
InChIKeyRTLALERPMMDQFG-AVDZWTPASA-N
XLogP1.45
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide with MolForge

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Related Compounds

2-[(1S,3R,3aR,6aS)-5'-chloro-5-[2-(3,4-dimethoxyphenyl)ethyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 92506480
2-[(1R,3R,3aS,6aS)-5'-chloro-5-[2-(3,4-dimethoxyphenyl)ethyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 163080544
2-[(1S,3S,3aR,6aS)-5'-chloro-5-[2-(3,4-dimethoxyphenyl)ethyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 93114560
2-[(1S,3R,3aS,6aS)-5'-chloro-5-[2-(3,4-dimethoxyphenyl)ethyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 124540377
2-[(1R,3R,3aR,6aS)-5'-chloro-5-[2-(3,4-dimethoxyphenyl)ethyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 92506479
(1R,3R,3aR,6aS)-5'-chloro-1-[(1R)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-7'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 6572920
2-(5-tert-butyl-5'-chloro-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl)acetamide
CID 4896646
2-[(1S,3S,3aR,6aS)-7'-chloro-5-[(4-fluorophenyl)methyl]-5'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 2039079
3-[(1S,3S,3aR,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide
CID 29094040
3-[(1S,3S,3aR,6aR)-5'-chloro-5-[(4-methoxyphenyl)methyl]-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide
CID 6573769
3-[(1R,3R,3aS,6aS)-5-[(4-methoxyphenyl)methyl]-6',7'-dimethyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide
CID 163080344
2-[(1R,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 163056065

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide?
The IUPAC name of 2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide (CID 124540212) is 2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide.
What is the SMILES notation for 2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide?
The canonical SMILES for 2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide is COc1ccc(CN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@H]3C2=O)cc1.
What is the InChIKey of 2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide?
The InChIKey is RTLALERPMMDQFG-AVDZWTPASA-N. The full InChI is InChI=1S/C24H23ClN4O5/c1-11-7-13(25)8-15-20(11)27-23(33)24(15)19-18(16(28-24)9-17(26)30)21(31)29(22(19)32)10-12-3-5-14(34-2)6-4-12/h3-8,16,18-19,28H,9-10H2,1-2H3,(H2,26,30)(H,27,33)/t16-,18+,19+,24+/m0/s1.
What are the key properties of 2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide?
2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide has a molecular weight of 482.92 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide is sourced from PubChem (CID 124540212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).