(2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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

C50H68Cl2N12O7Si2 — CID 159138839

IUPAC(2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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
SMILESCC[C@@H](N)CO.CC[C@H](CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21
InChIInChI=1S/C25H33ClN6O3Si.C21H24ClN5O3Si.C4H11NO/c1-6-17(14-33)28-25(34)19-13-32(15-35-9-10-36(3,4)5)24-23(19)29-20(12-27-24)22-18-8-7-16(26)11-21(18)31(2)30-22;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-2-4(5)3-6/h7-8,11-13,17,33H,6,9-10,14-15H2,1-5H3,(H,28,34);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);4,6H,2-3,5H2,1H3/t17-;;4-/m1.1/s1
InChIKeyKHVNPKBSLWYEDQ-YGEAXZEBSA-N
MW1076.25 g/mol
LogP8.82
Rot. Bonds19

About (2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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

(2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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 (PubChem CID 159138839) has the molecular formula C50H68Cl2N12O7Si2 and a molecular weight of 1076.25 g/mol. Its IUPAC name is (2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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.

Molecular Properties

Compound Name(2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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
PubChem CID159138839
Molecular FormulaC50H68Cl2N12O7Si2
Molecular Weight1076.25 g/mol
Exact Mass1074.42
IUPAC Name(2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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
SMILESCC[C@@H](N)CO.CC[C@H](CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21
InChIInChI=1S/C25H33ClN6O3Si.C21H24ClN5O3Si.C4H11NO/c1-6-17(14-33)28-25(34)19-13-32(15-35-9-10-36(3,4)5)24-23(19)29-20(12-27-24)22-18-8-7-16(26)11-21(18)31(2)30-22;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-2-4(5)3-6/h7-8,11-13,17,33H,6,9-10,14-15H2,1-5H3,(H,28,34);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);4,6H,2-3,5H2,1H3/t17-;;4-/m1.1/s1
InChIKeyKHVNPKBSLWYEDQ-YGEAXZEBSA-N
XLogP8.82
TPSA248.40 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001076.25
LogP ≤ 58.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze (2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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 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-(6-chloro-4-fluoro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71280045
2-[6-Chloro-1-(2-dimethylamino-ethyl)-4-fluoro-1H-indazol-3-yl]-5-(2-trimethylsilanylethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71280077
2-(6-chloro-4-fluoro-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71280164
2-[6-Chloro-1-(2-dimethylamino-ethyl)-4-fluoro-1H-indazol-3-yl]-5-(2-trimethylsilanylethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 71280218
2-[1-(1-tert-butoxycarbonyl-piperidin-4-yl)-6-fluoro-1H-indazol-3-yl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71280255
2-[6-Chloro-4-fluoro-1-(2-morpholin-4-yl-ethyl)-1H-indazol-3-yl]-5-(2-trimethylsilanylethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 71280326
2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280328
2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-((R)-3-fluoro-pyrrolidin-1-yl)-1-methyl-ethyl]-amide
CID 71286055
2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-((S)-3-fluoro-pyrrolidin-1-yl)-1-methyl-2-oxo-ethyl]-amide
CID 71286182
2-(6-chloro-4-fluoro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-2-methoxy-1-methyl-ethyl)-amide
CID 71288341
2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288919
(2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-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 157406879

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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?
The IUPAC name of (2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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 159138839) is (2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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.
What is the SMILES notation for (2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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?
The canonical SMILES for (2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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 is CC[C@@H](N)CO.CC[C@H](CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21.
What is the InChIKey of (2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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?
The InChIKey is KHVNPKBSLWYEDQ-YGEAXZEBSA-N. The full InChI is InChI=1S/C25H33ClN6O3Si.C21H24ClN5O3Si.C4H11NO/c1-6-17(14-33)28-25(34)19-13-32(15-35-9-10-36(3,4)5)24-23(19)29-20(12-27-24)22-18-8-7-16(26)11-21(18)31(2)30-22;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-2-4(5)3-6/h7-8,11-13,17,33H,6,9-10,14-15H2,1-5H3,(H,28,34);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);4,6H,2-3,5H2,1H3/t17-;;4-/m1.1/s1.
What are the key properties of (2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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?
(2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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 has a molecular weight of 1076.25 g/mol, XLogP of 8.82, 19 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminobutan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-hydroxybutan-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 is sourced from PubChem (CID 159138839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).