2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C52H48F8N14O3Si — CID 157463229

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1cc(C(F)(F)F)ccn1.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C29H31F4N7O2Si.C23H17F4N7O/c1-17(22-12-18(8-9-34-22)29(31,32)33)36-28(41)21-15-40(16-42-10-11-43(3,4)5)27-26(21)37-23(14-35-27)25-20-7-6-19(30)13-24(20)39(2)38-25;1-11(16-7-12(5-6-28-16)23(25,26)27)31-22(35)15-9-29-21-20(15)32-17(10-30-21)19-14-4-3-13(24)8-18(14)34(2)33-19/h6-9,12-15,17H,10-11,16H2,1-5H3,(H,36,41);3-11H,1-2H3,(H,29,30)(H,31,35)/t17-;11-/m11/s1
InChIKeyBUECOQOCSBRSEO-DYGAJBEPSA-N
MW1097.12 g/mol
LogP10.90
Rot. Bonds13

About 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 157463229) has the molecular formula C52H48F8N14O3Si and a molecular weight of 1097.12 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID157463229
Molecular FormulaC52H48F8N14O3Si
Molecular Weight1097.12 g/mol
Exact Mass1096.37
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1cc(C(F)(F)F)ccn1.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C29H31F4N7O2Si.C23H17F4N7O/c1-17(22-12-18(8-9-34-22)29(31,32)33)36-28(41)21-15-40(16-42-10-11-43(3,4)5)27-26(21)37-23(14-35-27)25-20-7-6-19(30)13-24(20)39(2)38-25;1-11(16-7-12(5-6-28-16)23(25,26)27)31-22(35)15-9-29-21-20(15)32-17(10-30-21)19-14-4-3-13(24)8-18(14)34(2)33-19/h6-9,12-15,17H,10-11,16H2,1-5H3,(H,36,41);3-11H,1-2H3,(H,29,30)(H,31,35)/t17-;11-/m11/s1
InChIKeyBUECOQOCSBRSEO-DYGAJBEPSA-N
XLogP10.90
TPSA201.13 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001097.12
LogP ≤ 510.90
H-Bond Donors ≤ 53
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-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(5-aminooxan-3-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279494
2-(6-fluoro-1-piperidin-4-yl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
CID 71280067
2-(6-fluoro-1-methylindazol-3-yl)-N-(4-methylpiperidin-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280143
N-[(3R,5S)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288807
N-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288819
N-(6-(1-(1-(1H-imidazole-4-carbonyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo(1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118538686
N3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-N7-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide
CID 67259558
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 76684643
N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)-3H-imidazo[4,5-b] pyridine-7-carboxamide
CID 118538846
US12473304, Example 281
CID 156829043
US12473304, Example 273
CID 156829519
US20250092044, Example 24
CID 176248185

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 157463229) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1cc(C(F)(F)F)ccn1.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is BUECOQOCSBRSEO-DYGAJBEPSA-N. The full InChI is InChI=1S/C29H31F4N7O2Si.C23H17F4N7O/c1-17(22-12-18(8-9-34-22)29(31,32)33)36-28(41)21-15-40(16-42-10-11-43(3,4)5)27-26(21)37-23(14-35-27)25-20-7-6-19(30)13-24(20)39(2)38-25;1-11(16-7-12(5-6-28-16)23(25,26)27)31-22(35)15-9-29-21-20(15)32-17(10-30-21)19-14-4-3-13(24)8-18(14)34(2)33-19/h6-9,12-15,17H,10-11,16H2,1-5H3,(H,36,41);3-11H,1-2H3,(H,29,30)(H,31,35)/t17-;11-/m11/s1.
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1097.12 g/mol, XLogP of 10.90, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 157463229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).