2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C22H27N5OSi — CID 153434207

IUPAC2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C22H27N5OSi/c1-16-6-5-7-21(24-16)22-19(17-8-9-20-18(12-17)13-23-25-20)14-27(26-22)15-28-10-11-29(2,3)4/h5-9,12-14H,10-11,15H2,1-4H3,(H,23,25)
InChIKeyGEMGHSYCTWYMQW-UHFFFAOYSA-N
MW405.58 g/mol
LogP5.11
Rot. Bonds7

About 2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 153434207) has the molecular formula C22H27N5OSi and a molecular weight of 405.58 g/mol. Its IUPAC name is 2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID153434207
Molecular FormulaC22H27N5OSi
Molecular Weight405.58 g/mol
Exact Mass405.20
IUPAC Name2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C22H27N5OSi/c1-16-6-5-7-21(24-16)22-19(17-8-9-20-18(12-17)13-23-25-20)14-27(26-22)15-28-10-11-29(2,3)4/h5-9,12-14H,10-11,15H2,1-4H3,(H,23,25)
InChIKeyGEMGHSYCTWYMQW-UHFFFAOYSA-N
XLogP5.11
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.58
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 153434207) is 2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc3[nH]ncc3c2)n1.
What is the InChIKey of 2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is GEMGHSYCTWYMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OSi/c1-16-6-5-7-21(24-16)22-19(17-8-9-20-18(12-17)13-23-25-20)14-27(26-22)15-28-10-11-29(2,3)4/h5-9,12-14H,10-11,15H2,1-4H3,(H,23,25).
What are the key properties of 2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 405.58 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1H-indazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 153434207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).