2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane

C24H29FIN3OSi — CID 155640242

IUPAC2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(C)c1c(I)c2cc3c(cnn3COCC[Si](C)(C)C)cc2n1-c1ccc(F)cc1
InChIInChI=1S/C24H29FIN3OSi/c1-16(2)24-23(26)20-13-21-17(14-27-28(21)15-30-10-11-31(3,4)5)12-22(20)29(24)19-8-6-18(25)7-9-19/h6-9,12-14,16H,10-11,15H2,1-5H3
InChIKeyLDJFAWUCXVPCOW-UHFFFAOYSA-N
MW549.50 g/mol
LogP7.16
Rot. Bonds7

About 2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 155640242) has the molecular formula C24H29FIN3OSi and a molecular weight of 549.50 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID155640242
Molecular FormulaC24H29FIN3OSi
Molecular Weight549.50 g/mol
Exact Mass549.11
IUPAC Name2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(C)c1c(I)c2cc3c(cnn3COCC[Si](C)(C)C)cc2n1-c1ccc(F)cc1
InChIInChI=1S/C24H29FIN3OSi/c1-16(2)24-23(26)20-13-21-17(14-27-28(21)15-30-10-11-31(3,4)5)12-22(20)29(24)19-8-6-18(25)7-9-19/h6-9,12-14,16H,10-11,15H2,1-5H3
InChIKeyLDJFAWUCXVPCOW-UHFFFAOYSA-N
XLogP7.16
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.50
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
(R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol
CID 125481141
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
(1R)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridin-7-yl]ethanamine
CID 178027402
5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
CID 153498713
6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one
CID 59812975
trimethyl-[2-[[5-[2-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl]silane
CID 69472978
6-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazol-7-amine
CID 175233264
trimethyl-[2-[[6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane
CID 86707161

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 155640242) is 2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane is CC(C)c1c(I)c2cc3c(cnn3COCC[Si](C)(C)C)cc2n1-c1ccc(F)cc1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is LDJFAWUCXVPCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FIN3OSi/c1-16(2)24-23(26)20-13-21-17(14-27-28(21)15-30-10-11-31(3,4)5)12-22(20)29(24)19-8-6-18(25)7-9-19/h6-9,12-14,16H,10-11,15H2,1-5H3.
What are the key properties of 2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 549.50 g/mol, XLogP of 7.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 155640242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).