2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C55H77BrCl2N12O4Si2 — CID 159532815

IUPAC2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4ccc(Cl)cc34)nc12)C(C)(C)C.C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(C)(C)C.Cc1nn(C)c2ccc(Cl)cc12
InChIInChI=1S/C27H37ClN6O2Si.C19H31BrN4O2Si.C9H9ClN2/c1-17(27(2,3)4)30-26(35)20-15-34(16-36-11-12-37(6,7)8)25-24(20)31-21(14-29-25)23-19-13-18(28)9-10-22(19)33(5)32-23;1-13(19(2,3)4)22-18(25)14-11-24(12-26-8-9-27(5,6)7)17-16(14)23-15(20)10-21-17;1-6-8-5-7(10)3-4-9(8)12(2)11-6/h9-10,13-15,17H,11-12,16H2,1-8H3,(H,30,35);10-11,13H,8-9,12H2,1-7H3,(H,22,25);3-5H,1-2H3/t17-;13-;/m00./s1
InChIKeyMDFFITUMAOTOTC-BACLKCEISA-N
MW1177.28 g/mol
LogP13.32
Rot. Bonds15

About 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 159532815) has the molecular formula C55H77BrCl2N12O4Si2 and a molecular weight of 1177.28 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID159532815
Molecular FormulaC55H77BrCl2N12O4Si2
Molecular Weight1177.28 g/mol
Exact Mass1174.43
IUPAC Name2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4ccc(Cl)cc34)nc12)C(C)(C)C.C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(C)(C)C.Cc1nn(C)c2ccc(Cl)cc12
InChIInChI=1S/C27H37ClN6O2Si.C19H31BrN4O2Si.C9H9ClN2/c1-17(27(2,3)4)30-26(35)20-15-34(16-36-11-12-37(6,7)8)25-24(20)31-21(14-29-25)23-19-13-18(28)9-10-22(19)33(5)32-23;1-13(19(2,3)4)22-18(25)14-11-24(12-26-8-9-27(5,6)7)17-16(14)23-15(20)10-21-17;1-6-8-5-7(10)3-4-9(8)12(2)11-6/h9-10,13-15,17H,11-12,16H2,1-8H3,(H,30,35);10-11,13H,8-9,12H2,1-7H3,(H,22,25);3-5H,1-2H3/t17-;13-;/m00./s1
InChIKeyMDFFITUMAOTOTC-BACLKCEISA-N
XLogP13.32
TPSA173.72 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001177.28
LogP ≤ 513.32
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 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

2-(5-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71280611
2-[5-(tert-butyldimethyl-silanyloxymethyl)-1-methyl-1H-indazol-3-yl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 71280215
2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280442
2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71286068
2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole
CID 161103701
2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 158853151
N-tert-butyl-2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 158623601
2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 157423418
N-tert-butyl-2-(5-methoxy-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279513
(2S)-2-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 158876784
2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280605
2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-1-(2-cyanocyclopropyl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 86677960

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 159532815) is 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4ccc(Cl)cc34)nc12)C(C)(C)C.C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(C)(C)C.Cc1nn(C)c2ccc(Cl)cc12.
What is the InChIKey of 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is MDFFITUMAOTOTC-BACLKCEISA-N. The full InChI is InChI=1S/C27H37ClN6O2Si.C19H31BrN4O2Si.C9H9ClN2/c1-17(27(2,3)4)30-26(35)20-15-34(16-36-11-12-37(6,7)8)25-24(20)31-21(14-29-25)23-19-13-18(28)9-10-22(19)33(5)32-23;1-13(19(2,3)4)22-18(25)14-11-24(12-26-8-9-27(5,6)7)17-16(14)23-15(20)10-21-17;1-6-8-5-7(10)3-4-9(8)12(2)11-6/h9-10,13-15,17H,11-12,16H2,1-8H3,(H,30,35);10-11,13H,8-9,12H2,1-7H3,(H,22,25);3-5H,1-2H3/t17-;13-;/m00./s1.
What are the key properties of 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1177.28 g/mol, XLogP of 13.32, 15 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 159532815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).