2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C60H71F2N15O5Si2 — CID 157094470

IUPAC2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(F)ccc34)nc12)c1ccncc1.CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCN4CCOCC4)c4cc(F)ccc34)nc12)c1ccncc1
InChIInChI=1S/C33H41FN8O3Si.C27H30FN7O2Si/c1-23(24-7-9-35-10-8-24)37-33(43)27-21-41(22-45-17-18-46(2,3)4)32-31(27)38-28(20-36-32)30-26-6-5-25(34)19-29(26)42(39-30)12-11-40-13-15-44-16-14-40;1-17(18-7-9-29-10-8-18)31-27(36)21-15-35(16-37-11-12-38(2,3)4)26-25(21)32-23(14-30-26)24-20-6-5-19(28)13-22(20)33-34-24/h5-10,19-21,23H,11-18,22H2,1-4H3,(H,37,43);5-10,13-15,17H,11-12,16H2,1-4H3,(H,31,36)(H,33,34)
InChIKeyAFAVXLJXGHEZPF-UHFFFAOYSA-N
MW1176.50 g/mol
LogP10.43
Rot. Bonds21

About 2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 157094470) has the molecular formula C60H71F2N15O5Si2 and a molecular weight of 1176.50 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID157094470
Molecular FormulaC60H71F2N15O5Si2
Molecular Weight1176.50 g/mol
Exact Mass1175.53
IUPAC Name2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(F)ccc34)nc12)c1ccncc1.CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCN4CCOCC4)c4cc(F)ccc34)nc12)c1ccncc1
InChIInChI=1S/C33H41FN8O3Si.C27H30FN7O2Si/c1-23(24-7-9-35-10-8-24)37-33(43)27-21-41(22-45-17-18-46(2,3)4)32-31(27)38-28(20-36-32)30-26-6-5-25(34)19-29(26)42(39-30)12-11-40-13-15-44-16-14-40;1-17(18-7-9-29-10-8-18)31-27(36)21-15-35(16-37-11-12-38(2,3)4)26-25(21)32-23(14-30-26)24-20-6-5-19(28)13-22(20)33-34-24/h5-10,19-21,23H,11-18,22H2,1-4H3,(H,37,43);5-10,13-15,17H,11-12,16H2,1-4H3,(H,31,36)(H,33,34)
InChIKeyAFAVXLJXGHEZPF-UHFFFAOYSA-N
XLogP10.43
TPSA222.83 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001176.50
LogP ≤ 510.43
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'}

Analyze 2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 157094470) is 2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(F)ccc34)nc12)c1ccncc1.CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCN4CCOCC4)c4cc(F)ccc34)nc12)c1ccncc1.
What is the InChIKey of 2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is AFAVXLJXGHEZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41FN8O3Si.C27H30FN7O2Si/c1-23(24-7-9-35-10-8-24)37-33(43)27-21-41(22-45-17-18-46(2,3)4)32-31(27)38-28(20-36-32)30-26-6-5-25(34)19-29(26)42(39-30)12-11-40-13-15-44-16-14-40;1-17(18-7-9-29-10-8-18)31-27(36)21-15-35(16-37-11-12-38(2,3)4)26-25(21)32-23(14-30-26)24-20-6-5-19(28)13-22(20)33-34-24/h5-10,19-21,23H,11-18,22H2,1-4H3,(H,37,43);5-10,13-15,17H,11-12,16H2,1-4H3,(H,31,36)(H,33,34).
What are the key properties of 2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1176.50 g/mol, XLogP of 10.43, 21 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indazol-3-yl)-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 157094470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).