2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine

C60H72F2N12O7Si2 — CID 161286919

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine
SMILESCC(COc1ccccc1)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.CC(N)COc1ccccc1.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C30H35FN6O3Si.C21H24FN5O3Si.C9H13NO/c1-20(18-40-22-9-7-6-8-10-22)33-30(38)24-17-37(19-39-13-14-41(3,4)5)29-28(24)34-25(16-32-29)27-23-12-11-21(31)15-26(23)36(2)35-27;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;1-8(10)7-11-9-5-3-2-4-6-9/h6-12,15-17,20H,13-14,18-19H2,1-5H3,(H,33,38);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);2-6,8H,7,10H2,1H3
InChIKeyVFVNWPHNIRYVBY-UHFFFAOYSA-N
MW1167.48 g/mol
LogP11.18
Rot. Bonds21

About 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine

2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine (PubChem CID 161286919) has the molecular formula C60H72F2N12O7Si2 and a molecular weight of 1167.48 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine
PubChem CID161286919
Molecular FormulaC60H72F2N12O7Si2
Molecular Weight1167.48 g/mol
Exact Mass1166.52
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine
SMILESCC(COc1ccccc1)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.CC(N)COc1ccccc1.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C30H35FN6O3Si.C21H24FN5O3Si.C9H13NO/c1-20(18-40-22-9-7-6-8-10-22)33-30(38)24-17-37(19-39-13-14-41(3,4)5)29-28(24)34-25(16-32-29)27-23-12-11-21(31)15-26(23)36(2)35-27;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;1-8(10)7-11-9-5-3-2-4-6-9/h6-12,15-17,20H,13-14,18-19H2,1-5H3,(H,33,38);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);2-6,8H,7,10H2,1H3
InChIKeyVFVNWPHNIRYVBY-UHFFFAOYSA-N
XLogP11.18
TPSA226.40 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001167.48
LogP ≤ 511.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-[(3R)-3-[[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]amino]pyrrolidin-1-yl]purin-9-yl]-2-hydroxy-5-(propanoylamino)cyclopentyl] 2,2,2-trifluoroacetate
CID 66630907
4-{3-[7-tert-butylcarbamoyl-5-(2-trimethylsilanylethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-5-difluoromethoxy-indazol-1-yl}-butyric acid
CID 71279449
3-[3-[7-(Tert-butylcarbamoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-5-(difluoromethoxy)indazol-1-yl]propyl-methylcarbamic acid
CID 71279450
2-(1-((4-benzylmorpholin-2-yl)methyl)-5-(difluoromethoxy)-1H-indazol-3-yl)-N-tert-butyl-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279606
4-{3-[7-tert-butylcarbamoyl-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-5-difluoromethoxy-indazol-1-yl}-piperidine-1-carboxylic acid tert-butyl ester
CID 71279813
N-tert-butyl-2-[5-(difluoromethoxy)-1-piperidin-4-ylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279838
N-tert-butyl-2-(5-(difluoromethoxy)-1-(morpholin-2-ylmethyl)-1H-indazol-3-yl)-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279850
N-tert-butyl-2-(5-(difluoromethoxy)-1-(3-morpholinopropyl)-1H-indazol-3-yl)-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279997
N-(1-(tert-butyldimethylsilyloxy)-2-methylpropan-2-yl)-2-(5-(difluoromethoxy)-1-(3-(dimethylamino)propyl)-1H-indazol-3-yl)-5-trityl-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
CID 71280050
3-{3-[7-tert-butylcarbamoyl-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-5-difluoromethoxy-indazol-1-ylmethyl}-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 71280137
2-(5-(difluoromethoxy)-1-methyl-1H-indazol-3-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280236
N-tert-butyl-2-(5-(difluoromethoxy)-1-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)-1H-indazol-3-yl)-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280481

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine (CID 161286919) is 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine is CC(COc1ccccc1)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.CC(N)COc1ccccc1.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine?
The InChIKey is VFVNWPHNIRYVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O3Si.C21H24FN5O3Si.C9H13NO/c1-20(18-40-22-9-7-6-8-10-22)33-30(38)24-17-37(19-39-13-14-41(3,4)5)29-28(24)34-25(16-32-29)27-23-12-11-21(31)15-26(23)36(2)35-27;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;1-8(10)7-11-9-5-3-2-4-6-9/h6-12,15-17,20H,13-14,18-19H2,1-5H3,(H,33,38);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);2-6,8H,7,10H2,1H3.
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine?
2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine has a molecular weight of 1167.48 g/mol, XLogP of 11.18, 21 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-phenoxypropan-2-amine is sourced from PubChem (CID 161286919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).