2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C29H37N5O4Si — CID 90400943

IUPAC2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)c(OC)n1
InChIInChI=1S/C29H37N5O4Si/c1-35-27-9-7-23(29(31-27)36-2)21-6-8-25-24(18-21)28(32-34(25)20-38-16-17-39(3,4)5)22-10-11-30-26(19-22)33-12-14-37-15-13-33/h6-11,18-19H,12-17,20H2,1-5H3
InChIKeyYYRVVSHJLGQIHE-UHFFFAOYSA-N
MW547.73 g/mol
LogP5.33
Rot. Bonds10

About 2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90400943) has the molecular formula C29H37N5O4Si and a molecular weight of 547.73 g/mol. Its IUPAC name is 2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID90400943
Molecular FormulaC29H37N5O4Si
Molecular Weight547.73 g/mol
Exact Mass547.26
IUPAC Name2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)c(OC)n1
InChIInChI=1S/C29H37N5O4Si/c1-35-27-9-7-23(29(31-27)36-2)21-6-8-25-24(18-21)28(32-34(25)20-38-16-17-39(3,4)5)22-10-11-30-26(19-22)33-12-14-37-15-13-33/h6-11,18-19H,12-17,20H2,1-5H3
InChIKeyYYRVVSHJLGQIHE-UHFFFAOYSA-N
XLogP5.33
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.73
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 90400943) is 2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is COc1ccc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)c(OC)n1.
What is the InChIKey of 2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is YYRVVSHJLGQIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O4Si/c1-35-27-9-7-23(29(31-27)36-2)21-6-8-25-24(18-21)28(32-34(25)20-38-16-17-39(3,4)5)22-10-11-30-26(19-22)33-12-14-37-15-13-33/h6-11,18-19H,12-17,20H2,1-5H3.
What are the key properties of 2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 547.73 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,6-dimethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90400943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).