2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile

C26H37N7OSi — CID 67391064

IUPAC2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(C4(CC#N)CN(C5CCNCC5)C4)c3)ccnc21
InChIInChI=1S/C26H37N7OSi/c1-35(2,3)15-14-34-20-31-13-7-24-23(6-12-29-25(24)31)21-16-30-33(17-21)26(8-9-27)18-32(19-26)22-4-10-28-11-5-22/h6-7,12-13,16-17,22,28H,4-5,8,10-11,14-15,18-20H2,1-3H3
InChIKeyGASQTVYWGHAILR-UHFFFAOYSA-N
MW491.72 g/mol
LogP3.89
Rot. Bonds9

About 2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile

2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 67391064) has the molecular formula C26H37N7OSi and a molecular weight of 491.72 g/mol. Its IUPAC name is 2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
PubChem CID67391064
Molecular FormulaC26H37N7OSi
Molecular Weight491.72 g/mol
Exact Mass491.28
IUPAC Name2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(C4(CC#N)CN(C5CCNCC5)C4)c3)ccnc21
InChIInChI=1S/C26H37N7OSi/c1-35(2,3)15-14-34-20-31-13-7-24-23(6-12-29-25(24)31)21-16-30-33(17-21)26(8-9-27)18-32(19-26)22-4-10-28-11-5-22/h6-7,12-13,16-17,22,28H,4-5,8,10-11,14-15,18-20H2,1-3H3
InChIKeyGASQTVYWGHAILR-UHFFFAOYSA-N
XLogP3.89
TPSA83.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.72
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (CID 67391064) is 2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C4(CC#N)CN(C5CCNCC5)C4)c3)ccnc21.
What is the InChIKey of 2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is GASQTVYWGHAILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7OSi/c1-35(2,3)15-14-34-20-31-13-7-24-23(6-12-29-25(24)31)21-16-30-33(17-21)26(8-9-27)18-32(19-26)22-4-10-28-11-5-22/h6-7,12-13,16-17,22,28H,4-5,8,10-11,14-15,18-20H2,1-3H3.
What are the key properties of 2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 491.72 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-piperidin-4-yl-3-[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 67391064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).