N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C58H75F7N14O7Si2 — CID 159246712

IUPACN-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4ccc(OC(F)F)cc34)nc12.CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CC(=O)N4CCN(CC(F)(F)F)CC4)c4ccc(OC(F)F)cc34)nc12
InChIInChI=1S/C33H43F5N8O4Si.C25H32F2N6O3Si/c1-32(2,3)41-30(48)23-17-45(20-49-13-14-51(4,5)6)29-28(23)40-24(16-39-29)27-22-15-21(50-31(34)35)7-8-25(22)46(42-27)18-26(47)44-11-9-43(10-12-44)19-33(36,37)38;1-25(2,3)30-23(34)17-13-33(14-35-9-10-37(4,5)6)22-21(17)29-19(12-28-22)20-16-11-15(36-24(26)27)7-8-18(16)31-32-20/h7-8,15-17,31H,9-14,18-20H2,1-6H3,(H,41,48);7-8,11-13,24H,9-10,14H2,1-6H3,(H,30,34)(H,31,32)
InChIKeyKUTSDERGANBUGP-UHFFFAOYSA-N
MW1269.49 g/mol
LogP11.01
Rot. Bonds21

About N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 159246712) has the molecular formula C58H75F7N14O7Si2 and a molecular weight of 1269.49 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID159246712
Molecular FormulaC58H75F7N14O7Si2
Molecular Weight1269.49 g/mol
Exact Mass1268.54
IUPAC NameN-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4ccc(OC(F)F)cc34)nc12.CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CC(=O)N4CCN(CC(F)(F)F)CC4)c4ccc(OC(F)F)cc34)nc12
InChIInChI=1S/C33H43F5N8O4Si.C25H32F2N6O3Si/c1-32(2,3)41-30(48)23-17-45(20-49-13-14-51(4,5)6)29-28(23)40-24(16-39-29)27-22-15-21(50-31(34)35)7-8-25(22)46(42-27)18-26(47)44-11-9-43(10-12-44)19-33(36,37)38;1-25(2,3)30-23(34)17-13-33(14-35-9-10-37(4,5)6)22-21(17)29-19(12-28-22)20-16-11-15(36-24(26)27)7-8-18(16)31-32-20/h7-8,15-17,31H,9-14,18-20H2,1-6H3,(H,41,48);7-8,11-13,24H,9-10,14H2,1-6H3,(H,30,34)(H,31,32)
InChIKeyKUTSDERGANBUGP-UHFFFAOYSA-N
XLogP11.01
TPSA226.59 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001269.49
LogP ≤ 511.01
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 N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

N-tert-butyl-2-(5-(difluoromethoxy)-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280456
N-tert-butyl-2-(5-(difluoromethoxy)-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279608
2-[5-difluoromethoxy-1-(1-methyl-azetidin-3-ylmethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
CID 71279693
N-tert-butyl-2-(5-(difluoromethoxy)-1-(3-morpholinopropyl)-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280152
N-tert-butyl-2-(5-(difluoromethoxy)-1-(3-(dimethylamino)propyl)-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280416
2-(5-(difluoromethoxy)-1-(3-(dimethylamino)propyl)-1H-indazol-3-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
CID 71280634
N-tert-butyl-2-(5-(difluoromethoxy)-1H-indazol-3-yl)-5-trityl-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
CID 71279313
2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279436
2-(5-(difluoromethoxy)-1-methyl-1H-indazol-3-yl)-N-isopropyl-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279437
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
N-tert-butyl-2-(1-(3-(3-cyanoazetidin-1-yl)propyl)-5-(difluoromethoxy)-1H-indazol-3-yl)-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279508

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 159246712) is N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4ccc(OC(F)F)cc34)nc12.CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CC(=O)N4CCN(CC(F)(F)F)CC4)c4ccc(OC(F)F)cc34)nc12.
What is the InChIKey of N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is KUTSDERGANBUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43F5N8O4Si.C25H32F2N6O3Si/c1-32(2,3)41-30(48)23-17-45(20-49-13-14-51(4,5)6)29-28(23)40-24(16-39-29)27-22-15-21(50-31(34)35)7-8-25(22)46(42-27)18-26(47)44-11-9-43(10-12-44)19-33(36,37)38;1-25(2,3)30-23(34)17-13-33(14-35-9-10-37(4,5)6)22-21(17)29-19(12-28-22)20-16-11-15(36-24(26)27)7-8-18(16)31-32-20/h7-8,15-17,31H,9-14,18-20H2,1-6H3,(H,41,48);7-8,11-13,24H,9-10,14H2,1-6H3,(H,30,34)(H,31,32).
What are the key properties of N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1269.49 g/mol, XLogP of 11.01, 21 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 159246712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).