N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C58H72F8N14O5Si — CID 158421624

IUPACN-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCCN4CCC(F)(F)C4)c4ccc(OC(F)F)cc34)nc12.CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCCN4CCC(F)(F)C4)c4ccc(OC(F)F)cc34)nc12
InChIInChI=1S/C32H43F4N7O3Si.C26H29F4N7O2/c1-31(2,3)39-29(44)23-18-42(20-45-14-15-47(4,5)6)28-27(23)38-24(17-37-28)26-22-16-21(46-30(33)34)8-9-25(22)43(40-26)12-7-11-41-13-10-32(35,36)19-41;1-25(2,3)34-23(38)17-12-31-22-21(17)33-18(13-32-22)20-16-11-15(39-24(27)28)5-6-19(16)37(35-20)9-4-8-36-10-7-26(29,30)14-36/h8-9,16-18,30H,7,10-15,19-20H2,1-6H3,(H,39,44);5-6,11-13,24H,4,7-10,14H2,1-3H3,(H,31,32)(H,34,38)
InChIKeyHAODJKMOZJIWCH-UHFFFAOYSA-N
MW1225.38 g/mol
LogP11.46
Rot. Bonds21

About N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 158421624) has the molecular formula C58H72F8N14O5Si and a molecular weight of 1225.38 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID158421624
Molecular FormulaC58H72F8N14O5Si
Molecular Weight1225.38 g/mol
Exact Mass1224.55
IUPAC NameN-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCCN4CCC(F)(F)C4)c4ccc(OC(F)F)cc34)nc12.CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCCN4CCC(F)(F)C4)c4ccc(OC(F)F)cc34)nc12
InChIInChI=1S/C32H43F4N7O3Si.C26H29F4N7O2/c1-31(2,3)39-29(44)23-18-42(20-45-14-15-47(4,5)6)28-27(23)38-24(17-37-28)26-22-16-21(46-30(33)34)8-9-25(22)43(40-26)12-7-11-41-13-10-32(35,36)19-41;1-25(2,3)34-23(38)17-12-31-22-21(17)33-18(13-32-22)20-16-11-15(39-24(27)28)5-6-19(16)37(35-20)9-4-8-36-10-7-26(29,30)14-36/h8-9,16-18,30H,7,10-15,19-20H2,1-6H3,(H,39,44);5-6,11-13,24H,4,7-10,14H2,1-3H3,(H,31,32)(H,34,38)
InChIKeyHAODJKMOZJIWCH-UHFFFAOYSA-N
XLogP11.46
TPSA200.29 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001225.38
LogP ≤ 511.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

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

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
N-tert-butyl-2-(5-(difluoromethoxy)-1-(3,4-dihydroxybutyl)-1H-indazol-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
CID 71279672
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-(1-(3-(3-cyanoazetidin-1-yl)propyl)-5-(difluoromethoxy)-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279859
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
N-tert-butyl-2-(5-(difluoromethoxy)-1-(3-(methylsulfonyl)propyl)-1H-indazol-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
CID 71280539
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 158421624) is N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]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)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCCN4CCC(F)(F)C4)c4ccc(OC(F)F)cc34)nc12.CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCCN4CCC(F)(F)C4)c4ccc(OC(F)F)cc34)nc12.
What is the InChIKey of N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HAODJKMOZJIWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43F4N7O3Si.C26H29F4N7O2/c1-31(2,3)39-29(44)23-18-42(20-45-14-15-47(4,5)6)28-27(23)38-24(17-37-28)26-22-16-21(46-30(33)34)8-9-25(22)43(40-26)12-7-11-41-13-10-32(35,36)19-41;1-25(2,3)34-23(38)17-12-31-22-21(17)33-18(13-32-22)20-16-11-15(39-24(27)28)5-6-19(16)37(35-20)9-4-8-36-10-7-26(29,30)14-36/h8-9,16-18,30H,7,10-15,19-20H2,1-6H3,(H,39,44);5-6,11-13,24H,4,7-10,14H2,1-3H3,(H,31,32)(H,34,38).
What are the key properties of N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1225.38 g/mol, XLogP of 11.46, 21 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 158421624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).