2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C39H59N5O5Si3 — CID 22494897

IUPAC2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc(-c2cccc3c2c(-c2nc4ccncc4n2COCC[Si](C)(C)C)nn3COCC[Si](C)(C)C)c(C)cc1OCOCC[Si](C)(C)C
InChIInChI=1S/C39H59N5O5Si3/c1-29-23-36(49-28-48-19-22-52(9,10)11)35(45-2)24-31(29)30-13-12-14-33-37(30)38(42-44(33)27-47-18-21-51(6,7)8)39-41-32-15-16-40-25-34(32)43(39)26-46-17-20-50(3,4)5/h12-16,23-25H,17-22,26-28H2,1-11H3
InChIKeyDRTSYZAKNFYBPX-UHFFFAOYSA-N
MW762.19 g/mol
LogP9.75
Rot. Bonds19

About 2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 22494897) has the molecular formula C39H59N5O5Si3 and a molecular weight of 762.19 g/mol. Its IUPAC name is 2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID22494897
Molecular FormulaC39H59N5O5Si3
Molecular Weight762.19 g/mol
Exact Mass761.38
IUPAC Name2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc(-c2cccc3c2c(-c2nc4ccncc4n2COCC[Si](C)(C)C)nn3COCC[Si](C)(C)C)c(C)cc1OCOCC[Si](C)(C)C
InChIInChI=1S/C39H59N5O5Si3/c1-29-23-36(49-28-48-19-22-52(9,10)11)35(45-2)24-31(29)30-13-12-14-33-37(30)38(42-44(33)27-47-18-21-51(6,7)8)39-41-32-15-16-40-25-34(32)43(39)26-46-17-20-50(3,4)5/h12-16,23-25H,17-22,26-28H2,1-11H3
InChIKeyDRTSYZAKNFYBPX-UHFFFAOYSA-N
XLogP9.75
TPSA94.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.19
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 22494897) is 2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is COc1cc(-c2cccc3c2c(-c2nc4ccncc4n2COCC[Si](C)(C)C)nn3COCC[Si](C)(C)C)c(C)cc1OCOCC[Si](C)(C)C.
What is the InChIKey of 2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is DRTSYZAKNFYBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H59N5O5Si3/c1-29-23-36(49-28-48-19-22-52(9,10)11)35(45-2)24-31(29)30-13-12-14-33-37(30)38(42-44(33)27-47-18-21-51(6,7)8)39-41-32-15-16-40-25-34(32)43(39)26-46-17-20-50(3,4)5/h12-16,23-25H,17-22,26-28H2,1-11H3.
What are the key properties of 2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 762.19 g/mol, XLogP of 9.75, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 22494897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).