1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate

C62H72N6O7SSi — CID 158684829

IUPAC1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]ccc2c1.COC(=O)C(C)(C)C(c1ccccc1)c1ccc2c(ccn2C(=O)N(C)C)c1.COC(O[Si](C)(C)C)=C(C)C.O=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C23H26N2O3.C22H21N3OS.C9H7NO.C8H18O2Si/c1-23(2,21(26)28-5)20(16-9-7-6-8-10-16)18-11-12-19-17(15-18)13-14-25(19)22(27)24(3)4;1-22(2,20(26)25-21-24-12-13-27-21)19(15-6-4-3-5-7-15)17-8-9-18-16(14-17)10-11-23-18;11-6-7-1-2-9-8(5-7)3-4-10-9;1-7(2)8(9-3)10-11(4,5)6/h6-15,20H,1-5H3;3-14,19,23H,1-2H3,(H,24,25,26);1-6,10H;1-6H3
InChIKeyIFPHVAJFYOIXFY-UHFFFAOYSA-N
MW1073.45 g/mol
LogP14.64
Rot. Bonds13

About 1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate

1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate (PubChem CID 158684829) has the molecular formula C62H72N6O7SSi and a molecular weight of 1073.45 g/mol. Its IUPAC name is 1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate.

Molecular Properties

Compound Name1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate
PubChem CID158684829
Molecular FormulaC62H72N6O7SSi
Molecular Weight1073.45 g/mol
Exact Mass1072.50
IUPAC Name1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]ccc2c1.COC(=O)C(C)(C)C(c1ccccc1)c1ccc2c(ccn2C(=O)N(C)C)c1.COC(O[Si](C)(C)C)=C(C)C.O=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C23H26N2O3.C22H21N3OS.C9H7NO.C8H18O2Si/c1-23(2,21(26)28-5)20(16-9-7-6-8-10-16)18-11-12-19-17(15-18)13-14-25(19)22(27)24(3)4;1-22(2,20(26)25-21-24-12-13-27-21)19(15-6-4-3-5-7-15)17-8-9-18-16(14-17)10-11-23-18;11-6-7-1-2-9-8(5-7)3-4-10-9;1-7(2)8(9-3)10-11(4,5)6/h6-15,20H,1-5H3;3-14,19,23H,1-2H3,(H,24,25,26);1-6,10H;1-6H3
InChIKeyIFPHVAJFYOIXFY-UHFFFAOYSA-N
XLogP14.64
TPSA160.64 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.45
LogP ≤ 514.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-3-(1-methylindazol-5-yl)-4-phenyl-N-(1,3-thiazol-2-yl)butanamide;1-methoxyethenoxy(trimethyl)silane;methyl 2,2-dimethyl-3-(1-methylindazol-5-yl)-4-phenylbutanoate;1-methylindazole-5-carbaldehyde
CID 157656829
2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenylpropanoic acid;2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenylpropanoic acid
CID 159848765
1-(4-fluorophenyl)indazole-5-carbaldehyde;2-[1-(4-fluorophenyl)indazol-5-yl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide;methyl 2-[1-(4-fluorophenyl)indazol-5-yl]cyclopropane-1-carboxylate
CID 160157401
3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 161470637

Frequently Asked Questions

What is the IUPAC name of 1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate?
The IUPAC name of 1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate (CID 158684829) is 1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate.
What is the SMILES notation for 1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate?
The canonical SMILES for 1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate is CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]ccc2c1.COC(=O)C(C)(C)C(c1ccccc1)c1ccc2c(ccn2C(=O)N(C)C)c1.COC(O[Si](C)(C)C)=C(C)C.O=Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate?
The InChIKey is IFPHVAJFYOIXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3.C22H21N3OS.C9H7NO.C8H18O2Si/c1-23(2,21(26)28-5)20(16-9-7-6-8-10-16)18-11-12-19-17(15-18)13-14-25(19)22(27)24(3)4;1-22(2,20(26)25-21-24-12-13-27-21)19(15-6-4-3-5-7-15)17-8-9-18-16(14-17)10-11-23-18;11-6-7-1-2-9-8(5-7)3-4-10-9;1-7(2)8(9-3)10-11(4,5)6/h6-15,20H,1-5H3;3-14,19,23H,1-2H3,(H,24,25,26);1-6,10H;1-6H3.
What are the key properties of 1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate?
1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate has a molecular weight of 1073.45 g/mol, XLogP of 14.64, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate is sourced from PubChem (CID 158684829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).