2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate

C63H70Cl2N6O8Si2 — CID 158198542

IUPAC2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CC(n2cc(C3=C(c4c(Cl)[nH]c5ccccc45)C(=O)NC3=O)c3ccccc32)C1.CC(C)(C)[Si](C)(C)O[C@@H]1C=CC(n2cc(CC(N)=O)c3ccccc32)C1.COC(=O)C(=O)c1c(Cl)[nH]c2ccccc12
InChIInChI=1S/C31H32ClN3O3Si.C21H30N2O2Si.C11H8ClNO3/c1-31(2,3)39(4,5)38-19-15-14-18(16-19)35-17-22(20-10-7-9-13-24(20)35)26-27(30(37)34-29(26)36)25-21-11-6-8-12-23(21)33-28(25)32;1-21(2,3)26(4,5)25-17-11-10-16(13-17)23-14-15(12-20(22)24)18-8-6-7-9-19(18)23;1-16-11(15)9(14)8-6-4-2-3-5-7(6)13-10(8)12/h6-15,17-19,33H,16H2,1-5H3,(H,34,36,37);6-11,14,16-17H,12-13H2,1-5H3,(H2,22,24);2-5,13H,1H3/t18?,19-;16?,17-;/m11./s1
InChIKeyGAQJLIAJBIFNMD-GXUOZIOVSA-N
MW1166.36 g/mol
LogP13.97
Rot. Bonds12

About 2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate

2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate (PubChem CID 158198542) has the molecular formula C63H70Cl2N6O8Si2 and a molecular weight of 1166.36 g/mol. Its IUPAC name is 2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate.

Molecular Properties

Compound Name2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate
PubChem CID158198542
Molecular FormulaC63H70Cl2N6O8Si2
Molecular Weight1166.36 g/mol
Exact Mass1164.42
IUPAC Name2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CC(n2cc(C3=C(c4c(Cl)[nH]c5ccccc45)C(=O)NC3=O)c3ccccc32)C1.CC(C)(C)[Si](C)(C)O[C@@H]1C=CC(n2cc(CC(N)=O)c3ccccc32)C1.COC(=O)C(=O)c1c(Cl)[nH]c2ccccc12
InChIInChI=1S/C31H32ClN3O3Si.C21H30N2O2Si.C11H8ClNO3/c1-31(2,3)39(4,5)38-19-15-14-18(16-19)35-17-22(20-10-7-9-13-24(20)35)26-27(30(37)34-29(26)36)25-21-11-6-8-12-23(21)33-28(25)32;1-21(2,3)26(4,5)25-17-11-10-16(13-17)23-14-15(12-20(22)24)18-8-6-7-9-19(18)23;1-16-11(15)9(14)8-6-4-2-3-5-7(6)13-10(8)12/h6-15,17-19,33H,16H2,1-5H3,(H,34,36,37);6-11,14,16-17H,12-13H2,1-5H3,(H2,22,24);2-5,13H,1H3/t18?,19-;16?,17-;/m11./s1
InChIKeyGAQJLIAJBIFNMD-GXUOZIOVSA-N
XLogP13.97
TPSA192.53 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001166.36
LogP ≤ 513.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate with MolForge

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Related Compounds

Ethane;bis(3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione);methyl 2-(1-methylindol-3-yl)-2-oxoacetate;2-phenylacetamide;2-phenylacetic acid
CID 157163024
CID 157528517
CID 157528517
3-(2-chloro-1H-indol-3-yl)-4-(1-cyclohex-2-en-1-ylindol-3-yl)pyrrole-2,5-dione;2-(1-cyclohex-2-en-1-ylindol-3-yl)acetamide;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate
CID 157579073
bis(5-chloropent-1-yne);2-(1H-indol-3-yl)acetamide;methyl 2-(1H-indol-3-yl)-2-oxoacetate;methyl 2-oxo-2-(1-pent-4-ynylindol-3-yl)acetate;2-(1-pent-4-ynylindol-3-yl)acetamide
CID 157655834
3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(5-bromo-2-chloro-1H-indol-3-yl)-2-oxoacetate
CID 158009100
3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane;2-(5-methoxy-1H-indol-3-yl)acetamide;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate
CID 158091807
3-(5-bromo-2-chloro-1H-indol-3-yl)-4-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]pyrrole-2,5-dione;2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;methyl 2-(5-bromo-2-chloro-1H-indol-3-yl)-2-oxoacetate
CID 158347296
2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2,6-dichloro-1H-indol-3-yl)pyrrole-2,5-dione;methane;methyl 2-(2,6-dichloro-1H-indol-3-yl)-2-oxoacetate
CID 158385941
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-ylmethyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propanamide;methyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 158514459
3-(2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate
CID 158848053
3-(5-bromo-2-chloro-1H-indol-3-yl)-4-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]pyrrole-2,5-dione;2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;methane;methyl 2-(5-bromo-2-chloro-1H-indol-3-yl)-2-oxoacetate
CID 158855878
bis(1H-indole);2-indol-1-ylacetamide;3-indol-1-yl-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;propane
CID 159491643

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate?
The IUPAC name of 2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate (CID 158198542) is 2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate.
What is the SMILES notation for 2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate?
The canonical SMILES for 2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate is CC(C)(C)[Si](C)(C)O[C@@H]1C=CC(n2cc(C3=C(c4c(Cl)[nH]c5ccccc45)C(=O)NC3=O)c3ccccc32)C1.CC(C)(C)[Si](C)(C)O[C@@H]1C=CC(n2cc(CC(N)=O)c3ccccc32)C1.COC(=O)C(=O)c1c(Cl)[nH]c2ccccc12.
What is the InChIKey of 2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate?
The InChIKey is GAQJLIAJBIFNMD-GXUOZIOVSA-N. The full InChI is InChI=1S/C31H32ClN3O3Si.C21H30N2O2Si.C11H8ClNO3/c1-31(2,3)39(4,5)38-19-15-14-18(16-19)35-17-22(20-10-7-9-13-24(20)35)26-27(30(37)34-29(26)36)25-21-11-6-8-12-23(21)33-28(25)32;1-21(2,3)26(4,5)25-17-11-10-16(13-17)23-14-15(12-20(22)24)18-8-6-7-9-19(18)23;1-16-11(15)9(14)8-6-4-2-3-5-7(6)13-10(8)12/h6-15,17-19,33H,16H2,1-5H3,(H,34,36,37);6-11,14,16-17H,12-13H2,1-5H3,(H2,22,24);2-5,13H,1H3/t18?,19-;16?,17-;/m11./s1.
What are the key properties of 2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate?
2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate has a molecular weight of 1166.36 g/mol, XLogP of 13.97, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate is sourced from PubChem (CID 158198542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).