3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol

C22H32N4O2Si — CID 175929447

IUPAC3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol
SMILESCn1nccc1-c1cc2cc(C3CCC(O)C3)cnc2n1COCC[Si](C)(C)C
InChIInChI=1S/C22H32N4O2Si/c1-25-20(7-8-24-25)21-13-17-11-18(16-5-6-19(27)12-16)14-23-22(17)26(21)15-28-9-10-29(2,3)4/h7-8,11,13-14,16,19,27H,5-6,9-10,12,15H2,1-4H3
InChIKeyJTOYQPUPFUOPRC-UHFFFAOYSA-N
MW412.61 g/mol
LogP4.38
Rot. Bonds7

About 3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol

3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol (PubChem CID 175929447) has the molecular formula C22H32N4O2Si and a molecular weight of 412.61 g/mol. Its IUPAC name is 3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol
PubChem CID175929447
Molecular FormulaC22H32N4O2Si
Molecular Weight412.61 g/mol
Exact Mass412.23
IUPAC Name3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol
SMILESCn1nccc1-c1cc2cc(C3CCC(O)C3)cnc2n1COCC[Si](C)(C)C
InChIInChI=1S/C22H32N4O2Si/c1-25-20(7-8-24-25)21-13-17-11-18(16-5-6-19(27)12-16)14-23-22(17)26(21)15-28-9-10-29(2,3)4/h7-8,11,13-14,16,19,27H,5-6,9-10,12,15H2,1-4H3
InChIKeyJTOYQPUPFUOPRC-UHFFFAOYSA-N
XLogP4.38
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.61
LogP ≤ 54.38
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol?
The IUPAC name of 3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol (CID 175929447) is 3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol.
What is the SMILES notation for 3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol?
The canonical SMILES for 3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol is Cn1nccc1-c1cc2cc(C3CCC(O)C3)cnc2n1COCC[Si](C)(C)C.
What is the InChIKey of 3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol?
The InChIKey is JTOYQPUPFUOPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2Si/c1-25-20(7-8-24-25)21-13-17-11-18(16-5-6-19(27)12-16)14-23-22(17)26(21)15-28-9-10-29(2,3)4/h7-8,11,13-14,16,19,27H,5-6,9-10,12,15H2,1-4H3.
What are the key properties of 3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol?
3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol has a molecular weight of 412.61 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 175929447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).