2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C20H26BrN5O2Si — CID 164881012

IUPAC2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ncnc(C2CC2)c1-c1cc2c(Br)nn(COCC[Si](C)(C)C)c2cn1
InChIInChI=1S/C20H26BrN5O2Si/c1-27-20-17(18(13-5-6-13)23-11-24-20)15-9-14-16(10-22-15)26(25-19(14)21)12-28-7-8-29(2,3)4/h9-11,13H,5-8,12H2,1-4H3
InChIKeyGMLNZJIGHGKWLO-UHFFFAOYSA-N
MW476.45 g/mol
LogP4.85
Rot. Bonds8

About 2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164881012) has the molecular formula C20H26BrN5O2Si and a molecular weight of 476.45 g/mol. Its IUPAC name is 2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164881012
Molecular FormulaC20H26BrN5O2Si
Molecular Weight476.45 g/mol
Exact Mass475.10
IUPAC Name2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ncnc(C2CC2)c1-c1cc2c(Br)nn(COCC[Si](C)(C)C)c2cn1
InChIInChI=1S/C20H26BrN5O2Si/c1-27-20-17(18(13-5-6-13)23-11-24-20)15-9-14-16(10-22-15)26(25-19(14)21)12-28-7-8-29(2,3)4/h9-11,13H,5-8,12H2,1-4H3
InChIKeyGMLNZJIGHGKWLO-UHFFFAOYSA-N
XLogP4.85
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 164881012) is 2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1ncnc(C2CC2)c1-c1cc2c(Br)nn(COCC[Si](C)(C)C)c2cn1.
What is the InChIKey of 2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is GMLNZJIGHGKWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN5O2Si/c1-27-20-17(18(13-5-6-13)23-11-24-20)15-9-14-16(10-22-15)26(25-19(14)21)12-28-7-8-29(2,3)4/h9-11,13H,5-8,12H2,1-4H3.
What are the key properties of 2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 476.45 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164881012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).