7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol

C22H28BrN3O3Si — CID 171761366

IUPAC7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol
SMILESCC1(O)CCOc2cc(-c3nn(COCC[Si](C)(C)C)c4ncc(Br)cc34)ccc21
InChIInChI=1S/C22H28BrN3O3Si/c1-22(27)7-8-29-19-11-15(5-6-18(19)22)20-17-12-16(23)13-24-21(17)26(25-20)14-28-9-10-30(2,3)4/h5-6,11-13,27H,7-10,14H2,1-4H3
InChIKeyHYYHBGXPZZUNLY-UHFFFAOYSA-N
MW490.47 g/mol
LogP5.16
Rot. Bonds6

About 7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol

7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol (PubChem CID 171761366) has the molecular formula C22H28BrN3O3Si and a molecular weight of 490.47 g/mol. Its IUPAC name is 7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol.

Molecular Properties

Compound Name7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol
PubChem CID171761366
Molecular FormulaC22H28BrN3O3Si
Molecular Weight490.47 g/mol
Exact Mass489.11
IUPAC Name7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol
SMILESCC1(O)CCOc2cc(-c3nn(COCC[Si](C)(C)C)c4ncc(Br)cc34)ccc21
InChIInChI=1S/C22H28BrN3O3Si/c1-22(27)7-8-29-19-11-15(5-6-18(19)22)20-17-12-16(23)13-24-21(17)26(25-20)14-28-9-10-30(2,3)4/h5-6,11-13,27H,7-10,14H2,1-4H3
InChIKeyHYYHBGXPZZUNLY-UHFFFAOYSA-N
XLogP5.16
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 71562636
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde
CID 171465871
2-[(5-bromo-3-ethenylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 171465843
methyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
CID 140878903
2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 166110620
2-[(5-bromo-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 59297026
2-[(5-bromo-17-fluoro-7,11-dioxa-20,23,24-triazapentacyclo[17.5.2.12,6.013,18.022,25]heptacosa-1(24),2(27),3,5,13(18),14,16,19,21,25-decaen-23-yl)methoxy]ethyl-trimethylsilane
CID 172516196
5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 171465845
5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine
CID 143347890
tert-butyl N-[2-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-5-(trifluoromethoxy)phenyl]carbamate
CID 164921847
2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 168727886
5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
CID 66779522

Frequently Asked Questions

What is the IUPAC name of 7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol?
The IUPAC name of 7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol (CID 171761366) is 7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol.
What is the SMILES notation for 7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol?
The canonical SMILES for 7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol is CC1(O)CCOc2cc(-c3nn(COCC[Si](C)(C)C)c4ncc(Br)cc34)ccc21.
What is the InChIKey of 7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol?
The InChIKey is HYYHBGXPZZUNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN3O3Si/c1-22(27)7-8-29-19-11-15(5-6-18(19)22)20-17-12-16(23)13-24-21(17)26(25-20)14-28-9-10-30(2,3)4/h5-6,11-13,27H,7-10,14H2,1-4H3.
What are the key properties of 7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol?
7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol has a molecular weight of 490.47 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 171761366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).