[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea

C49H67N11O5Si2 — CID 158235956

IUPAC[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea
SMILESCOc1ccc2c(c1)c(-c1cc3nc(CN)cnc3n1COCC[Si](C)(C)C)cn2C.COc1ccc2c(c1)c(-c1cc3nc(CNC(=O)N(C)C)cnc3n1COCC[Si](C)(C)C)cn2C
InChIInChI=1S/C26H36N6O3Si.C23H31N5O2Si/c1-30(2)26(33)28-15-18-14-27-25-22(29-18)13-24(32(25)17-35-10-11-36(5,6)7)21-16-31(3)23-9-8-19(34-4)12-20(21)23;1-27-14-19(18-10-17(29-2)6-7-21(18)27)22-11-20-23(25-13-16(12-24)26-20)28(22)15-30-8-9-31(3,4)5/h8-9,12-14,16H,10-11,15,17H2,1-7H3,(H,28,33);6-7,10-11,13-14H,8-9,12,15,24H2,1-5H3
InChIKeyGEYQKTJKYAWPBD-UHFFFAOYSA-N
MW946.32 g/mol
LogP9.05
Rot. Bonds17

About [6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea

[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea (PubChem CID 158235956) has the molecular formula C49H67N11O5Si2 and a molecular weight of 946.32 g/mol. Its IUPAC name is [6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea
PubChem CID158235956
Molecular FormulaC49H67N11O5Si2
Molecular Weight946.32 g/mol
Exact Mass945.49
IUPAC Name[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea
SMILESCOc1ccc2c(c1)c(-c1cc3nc(CN)cnc3n1COCC[Si](C)(C)C)cn2C.COc1ccc2c(c1)c(-c1cc3nc(CNC(=O)N(C)C)cnc3n1COCC[Si](C)(C)C)cn2C
InChIInChI=1S/C26H36N6O3Si.C23H31N5O2Si/c1-30(2)26(33)28-15-18-14-27-25-22(29-18)13-24(32(25)17-35-10-11-36(5,6)7)21-16-31(3)23-9-8-19(34-4)12-20(21)23;1-27-14-19(18-10-17(29-2)6-7-21(18)27)22-11-20-23(25-13-16(12-24)26-20)28(22)15-30-8-9-31(3,4)5/h8-9,12-14,16H,10-11,15,17H2,1-7H3,(H,28,33);6-7,10-11,13-14H,8-9,12,15,24H2,1-5H3
InChIKeyGEYQKTJKYAWPBD-UHFFFAOYSA-N
XLogP9.05
TPSA166.56 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500946.32
LogP ≤ 59.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze [6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea with MolForge

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Related Compounds

6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 9860448
ethyl 4-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxylate
CID 658919
7-benzyl-4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride
CID 137658762
8-methoxy-1-(4-methoxyphenyl)-2-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinoline
CID 177655561
2-Imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone
CID 110197628
(6-Methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-(1-methylimidazol-2-yl)methanone
CID 110197649
2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine
CID 46214373
7-(5-Methoxy-1-methyl-1H-indol-3-yl)-1-(trifluoromethyl)-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazine
CID 53247379
4-(5-Methoxy-1-methylindol-3-yl)-12-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58382034
2,2,2-trifluoro-N-((6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl)acetamide
CID 58382242
2-[5-methoxy-3-[4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]indol-1-yl]-1-piperidin-1-ylethanone
CID 58933382
N-butyl-4-[(5S)-2-(4-fluorophenyl)-5-[(5-methoxyindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
CID 59640948

Frequently Asked Questions

What is the IUPAC name of [6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea?
The IUPAC name of [6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea (CID 158235956) is [6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea.
What is the SMILES notation for [6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea?
The canonical SMILES for [6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea is COc1ccc2c(c1)c(-c1cc3nc(CN)cnc3n1COCC[Si](C)(C)C)cn2C.COc1ccc2c(c1)c(-c1cc3nc(CNC(=O)N(C)C)cnc3n1COCC[Si](C)(C)C)cn2C.
What is the InChIKey of [6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea?
The InChIKey is GEYQKTJKYAWPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O3Si.C23H31N5O2Si/c1-30(2)26(33)28-15-18-14-27-25-22(29-18)13-24(32(25)17-35-10-11-36(5,6)7)21-16-31(3)23-9-8-19(34-4)12-20(21)23;1-27-14-19(18-10-17(29-2)6-7-21(18)27)22-11-20-23(25-13-16(12-24)26-20)28(22)15-30-8-9-31(3,4)5/h8-9,12-14,16H,10-11,15,17H2,1-7H3,(H,28,33);6-7,10-11,13-14H,8-9,12,15,24H2,1-5H3.
What are the key properties of [6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea?
[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea has a molecular weight of 946.32 g/mol, XLogP of 9.05, 17 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;3-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-dimethylurea is sourced from PubChem (CID 158235956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).