2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C31H41N5O2Si — CID 156674722

IUPAC2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc2c(nc1-c1cccc(C)c1C)c(-c1ccc(C3CCNCC3)nc1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C31H41N5O2Si/c1-21-8-7-9-25(22(21)2)30-28(37-3)18-27-31(34-30)29(35-36(27)20-38-16-17-39(4,5)6)24-10-11-26(33-19-24)23-12-14-32-15-13-23/h7-11,18-19,23,32H,12-17,20H2,1-6H3
InChIKeyZGQMEGJEXKXFTL-UHFFFAOYSA-N
MW543.79 g/mol
LogP6.57
Rot. Bonds9

About 2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 156674722) has the molecular formula C31H41N5O2Si and a molecular weight of 543.79 g/mol. Its IUPAC name is 2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID156674722
Molecular FormulaC31H41N5O2Si
Molecular Weight543.79 g/mol
Exact Mass543.30
IUPAC Name2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc2c(nc1-c1cccc(C)c1C)c(-c1ccc(C3CCNCC3)nc1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C31H41N5O2Si/c1-21-8-7-9-25(22(21)2)30-28(37-3)18-27-31(34-30)29(35-36(27)20-38-16-17-39(4,5)6)24-10-11-26(33-19-24)23-12-14-32-15-13-23/h7-11,18-19,23,32H,12-17,20H2,1-6H3
InChIKeyZGQMEGJEXKXFTL-UHFFFAOYSA-N
XLogP6.57
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.79
LogP ≤ 56.57
H-Bond Donors ≤ 51
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-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 156674722) is 2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1cc2c(nc1-c1cccc(C)c1C)c(-c1ccc(C3CCNCC3)nc1)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZGQMEGJEXKXFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O2Si/c1-21-8-7-9-25(22(21)2)30-28(37-3)18-27-31(34-30)29(35-36(27)20-38-16-17-39(4,5)6)24-10-11-26(33-19-24)23-12-14-32-15-13-23/h7-11,18-19,23,32H,12-17,20H2,1-6H3.
What are the key properties of 2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 543.79 g/mol, XLogP of 6.57, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,3-dimethylphenyl)-6-methoxy-3-(6-piperidin-4-yl-3-pyridinyl)pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 156674722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).