3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol

C20H30N4O2Si — CID 90355874

IUPAC3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol
SMILESCc1cc2c(-c3cnn(C(C)CCO)c3)ccnc2n1OCC[Si](C)(C)C
InChIInChI=1S/C20H30N4O2Si/c1-15(7-9-25)23-14-17(13-22-23)18-6-8-21-20-19(18)12-16(2)24(20)26-10-11-27(3,4)5/h6,8,12-15,25H,7,9-11H2,1-5H3
InChIKeyOJLQCSPJGWVPIE-UHFFFAOYSA-N
MW386.57 g/mol
LogP3.92
Rot. Bonds8

About 3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol

3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol (PubChem CID 90355874) has the molecular formula C20H30N4O2Si and a molecular weight of 386.57 g/mol. Its IUPAC name is 3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol.

Molecular Properties

Compound Name3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol
PubChem CID90355874
Molecular FormulaC20H30N4O2Si
Molecular Weight386.57 g/mol
Exact Mass386.21
IUPAC Name3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol
SMILESCc1cc2c(-c3cnn(C(C)CCO)c3)ccnc2n1OCC[Si](C)(C)C
InChIInChI=1S/C20H30N4O2Si/c1-15(7-9-25)23-14-17(13-22-23)18-6-8-21-20-19(18)12-16(2)24(20)26-10-11-27(3,4)5/h6,8,12-15,25H,7,9-11H2,1-5H3
InChIKeyOJLQCSPJGWVPIE-UHFFFAOYSA-N
XLogP3.92
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol?
The IUPAC name of 3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol (CID 90355874) is 3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol.
What is the SMILES notation for 3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol?
The canonical SMILES for 3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol is Cc1cc2c(-c3cnn(C(C)CCO)c3)ccnc2n1OCC[Si](C)(C)C.
What is the InChIKey of 3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol?
The InChIKey is OJLQCSPJGWVPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2Si/c1-15(7-9-25)23-14-17(13-22-23)18-6-8-21-20-19(18)12-16(2)24(20)26-10-11-27(3,4)5/h6,8,12-15,25H,7,9-11H2,1-5H3.
What are the key properties of 3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol?
3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol has a molecular weight of 386.57 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-methyl-1-(2-trimethylsilylethoxy)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]butan-1-ol is sourced from PubChem (CID 90355874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).