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

C48H64Cl2N12O7Si2 — CID 158876783

IUPAC(2R)-2-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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
SMILESC[C@@H](N)CO.C[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/C24H31ClN6O3Si.C21H24ClN5O3Si.C3H9NO/c1-15(13-32)27-24(33)18-12-31(14-34-8-9-35(3,4)5)23-22(18)28-19(11-26-23)21-17-7-6-16(25)10-20(17)30(2)29-21;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;1-3(4)2-5/h6-7,10-12,15,32H,8-9,13-14H2,1-5H3,(H,27,33);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);3,5H,2,4H2,1H3/t15-;;3-/m1.1/s1
InChIKeyJCNOBKIUCFHXJC-CJNKBVHISA-N
MW1048.19 g/mol
LogP8.04
Rot. Bonds17

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

(2R)-2-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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 (PubChem CID 158876783) has the molecular formula C48H64Cl2N12O7Si2 and a molecular weight of 1048.19 g/mol. Its IUPAC name is (2R)-2-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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.

Molecular Properties

Compound Name(2R)-2-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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
PubChem CID158876783
Molecular FormulaC48H64Cl2N12O7Si2
Molecular Weight1048.19 g/mol
Exact Mass1046.39
IUPAC Name(2R)-2-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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
SMILESC[C@@H](N)CO.C[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/C24H31ClN6O3Si.C21H24ClN5O3Si.C3H9NO/c1-15(13-32)27-24(33)18-12-31(14-34-8-9-35(3,4)5)23-22(18)28-19(11-26-23)21-17-7-6-16(25)10-20(17)30(2)29-21;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;1-3(4)2-5/h6-7,10-12,15,32H,8-9,13-14H2,1-5H3,(H,27,33);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);3,5H,2,4H2,1H3/t15-;;3-/m1.1/s1
InChIKeyJCNOBKIUCFHXJC-CJNKBVHISA-N
XLogP8.04
TPSA248.40 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001048.19
LogP ≤ 58.04
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-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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 with MolForge

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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-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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?
The IUPAC name of (2R)-2-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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 158876783) is (2R)-2-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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.
What is the SMILES notation for (2R)-2-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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?
The canonical SMILES for (2R)-2-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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 is C[C@@H](N)CO.C[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-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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?
The InChIKey is JCNOBKIUCFHXJC-CJNKBVHISA-N. The full InChI is InChI=1S/C24H31ClN6O3Si.C21H24ClN5O3Si.C3H9NO/c1-15(13-32)27-24(33)18-12-31(14-34-8-9-35(3,4)5)23-22(18)28-19(11-26-23)21-17-7-6-16(25)10-20(17)30(2)29-21;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;1-3(4)2-5/h6-7,10-12,15,32H,8-9,13-14H2,1-5H3,(H,27,33);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);3,5H,2,4H2,1H3/t15-;;3-/m1.1/s1.
What are the key properties of (2R)-2-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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?
(2R)-2-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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 has a molecular weight of 1048.19 g/mol, XLogP of 8.04, 17 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminopropan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-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 is sourced from PubChem (CID 158876783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).