2-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile

C26H37N7OSi — CID 67391703

IUPAC2-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESC[Si](C)(C)CCOCC1C=NC(c2cnn(C3(CC#N)CN(C4CCNCC4)C3)c2)=C2C=CN=C21
InChIInChI=1S/C26H37N7OSi/c1-35(2,3)13-12-34-17-21-14-30-24(23-6-11-29-25(21)23)20-15-31-33(16-20)26(7-8-27)18-32(19-26)22-4-9-28-10-5-22/h6,11,14-16,21-22,28H,4-5,7,9-10,12-13,17-19H2,1-3H3
InChIKeyFSWUXIVXVXWZQO-UHFFFAOYSA-N
MW491.72 g/mol
LogP3.29
Rot. Bonds9

About 2-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile

2-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 67391703) 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-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
PubChem CID67391703
Molecular FormulaC26H37N7OSi
Molecular Weight491.72 g/mol
Exact Mass491.28
IUPAC Name2-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESC[Si](C)(C)CCOCC1C=NC(c2cnn(C3(CC#N)CN(C4CCNCC4)C3)c2)=C2C=CN=C21
InChIInChI=1S/C26H37N7OSi/c1-35(2,3)13-12-34-17-21-14-30-24(23-6-11-29-25(21)23)20-15-31-33(16-20)26(7-8-27)18-32(19-26)22-4-9-28-10-5-22/h6,11,14-16,21-22,28H,4-5,7,9-10,12-13,17-19H2,1-3H3
InChIKeyFSWUXIVXVXWZQO-UHFFFAOYSA-N
XLogP3.29
TPSA90.83 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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (CID 67391703) is 2-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is C[Si](C)(C)CCOCC1C=NC(c2cnn(C3(CC#N)CN(C4CCNCC4)C3)c2)=C2C=CN=C21.
What is the InChIKey of 2-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is FSWUXIVXVXWZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7OSi/c1-35(2,3)13-12-34-17-21-14-30-24(23-6-11-29-25(21)23)20-15-31-33(16-20)26(7-8-27)18-32(19-26)22-4-9-28-10-5-22/h6,11,14-16,21-22,28H,4-5,7,9-10,12-13,17-19H2,1-3H3.
What are the key properties of 2-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
2-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 491.72 g/mol, XLogP of 3.29, 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-[7-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[3,2-c]pyridin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 67391703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).