tert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane

C27H33N5O2Si — CID 140798391

IUPACtert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane
SMILESC=C(OCC)c1ccnc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)n1
InChIInChI=1S/C27H33N5O2Si/c1-8-33-19(2)23-14-15-28-26(31-23)20-12-13-21-17-29-32(24(21)16-20)25-11-9-10-22(30-25)18-34-35(6,7)27(3,4)5/h9-17H,2,8,18H2,1,3-7H3
InChIKeyONIWXLWRCPKWPJ-UHFFFAOYSA-N
MW487.68 g/mol
LogP6.41
Rot. Bonds8

About tert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane

tert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane (PubChem CID 140798391) has the molecular formula C27H33N5O2Si and a molecular weight of 487.68 g/mol. Its IUPAC name is tert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane
PubChem CID140798391
Molecular FormulaC27H33N5O2Si
Molecular Weight487.68 g/mol
Exact Mass487.24
IUPAC Nametert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane
SMILESC=C(OCC)c1ccnc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)n1
InChIInChI=1S/C27H33N5O2Si/c1-8-33-19(2)23-14-15-28-26(31-23)20-12-13-21-17-29-32(24(21)16-20)25-11-9-10-22(30-25)18-34-35(6,7)27(3,4)5/h9-17H,2,8,18H2,1,3-7H3
InChIKeyONIWXLWRCPKWPJ-UHFFFAOYSA-N
XLogP6.41
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.68
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane (CID 140798391) is tert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane is C=C(OCC)c1ccnc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)n1.
What is the InChIKey of tert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane?
The InChIKey is ONIWXLWRCPKWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2Si/c1-8-33-19(2)23-14-15-28-26(31-23)20-12-13-21-17-29-32(24(21)16-20)25-11-9-10-22(30-25)18-34-35(6,7)27(3,4)5/h9-17H,2,8,18H2,1,3-7H3.
What are the key properties of tert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane?
tert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane has a molecular weight of 487.68 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[6-[6-[4-(1-ethoxyethenyl)pyrimidin-2-yl]indazol-1-yl]-2-pyridinyl]methoxy]-dimethylsilane is sourced from PubChem (CID 140798391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).