2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane

C27H34FN5O2Si — CID 146167584

IUPAC2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNCC4)n[nH]c2c1
InChIInChI=1S/C27H34FN5O2Si/c1-5-17-13-25(35-16-34-10-11-36(2,3)4)21(28)14-20(17)18-6-7-19-23(12-18)32-33-26(19)27-30-22-8-9-29-15-24(22)31-27/h6-7,12-14,29H,5,8-11,15-16H2,1-4H3,(H,30,31)(H,32,33)
InChIKeyFIEFOBCUBWAVMJ-UHFFFAOYSA-N
MW507.69 g/mol
LogP5.66
Rot. Bonds9

About 2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane

2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane (PubChem CID 146167584) has the molecular formula C27H34FN5O2Si and a molecular weight of 507.69 g/mol. Its IUPAC name is 2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
PubChem CID146167584
Molecular FormulaC27H34FN5O2Si
Molecular Weight507.69 g/mol
Exact Mass507.25
IUPAC Name2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNCC4)n[nH]c2c1
InChIInChI=1S/C27H34FN5O2Si/c1-5-17-13-25(35-16-34-10-11-36(2,3)4)21(28)14-20(17)18-6-7-19-23(12-18)32-33-26(19)27-30-22-8-9-29-15-24(22)31-27/h6-7,12-14,29H,5,8-11,15-16H2,1-4H3,(H,30,31)(H,32,33)
InChIKeyFIEFOBCUBWAVMJ-UHFFFAOYSA-N
XLogP5.66
TPSA87.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.69
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Indazole-benzimidazole, 12
CID 135928479
4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 137223928
3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol
CID 137634328
Indazole-benzimidazole, 7
CID 135928475
Indazole-benzimidazole, 8
CID 135928476
Jak-IN-5
CID 137226770
6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-N,N-dimethyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)indazole-1-sulfonamide
CID 146167606
2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-1H-benzimidazole
CID 68396925
2-[6-(2-Ethyl-5-fluoro-4-methoxy-phenyl)-1-(tetrahydro-pyran-2-yl)-1H-indazol-3-yl]-1-(2-trimethylsilanyl-ethoxymethyl)-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester
CID 71237937
5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine
CID 135367737
2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 135718570
2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 135718571

Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane (CID 146167584) is 2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane is CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNCC4)n[nH]c2c1.
What is the InChIKey of 2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane?
The InChIKey is FIEFOBCUBWAVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O2Si/c1-5-17-13-25(35-16-34-10-11-36(2,3)4)21(28)14-20(17)18-6-7-19-23(12-18)32-33-26(19)27-30-22-8-9-29-15-24(22)31-27/h6-7,12-14,29H,5,8-11,15-16H2,1-4H3,(H,30,31)(H,32,33).
What are the key properties of 2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane?
2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane has a molecular weight of 507.69 g/mol, XLogP of 5.66, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 146167584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).