3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C32H38N6OSi — CID 171599545

IUPAC3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCC(C)c1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CO[Si](C)(C)C(C)(C)C)cc4)c3n2)cn1
InChIInChI=1S/C32H38N6OSi/c1-21(2)26-15-12-23(19-35-26)27-16-17-28-31(36-27)38(30(37-28)25-9-8-18-34-29(25)33)24-13-10-22(11-14-24)20-39-40(6,7)32(3,4)5/h8-19,21H,20H2,1-7H3,(H2,33,34)
InChIKeyQLVMLPNJFGPIBN-UHFFFAOYSA-N
MW550.78 g/mol
LogP7.77
Rot. Bonds7

About 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171599545) has the molecular formula C32H38N6OSi and a molecular weight of 550.78 g/mol. Its IUPAC name is 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID171599545
Molecular FormulaC32H38N6OSi
Molecular Weight550.78 g/mol
Exact Mass550.29
IUPAC Name3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCC(C)c1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CO[Si](C)(C)C(C)(C)C)cc4)c3n2)cn1
InChIInChI=1S/C32H38N6OSi/c1-21(2)26-15-12-23(19-35-26)27-16-17-28-31(36-27)38(30(37-28)25-9-8-18-34-29(25)33)24-13-10-22(11-14-24)20-39-40(6,7)32(3,4)5/h8-19,21H,20H2,1-7H3,(H2,33,34)
InChIKeyQLVMLPNJFGPIBN-UHFFFAOYSA-N
XLogP7.77
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.78
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171599545) is 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CC(C)c1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CO[Si](C)(C)C(C)(C)C)cc4)c3n2)cn1.
What is the InChIKey of 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is QLVMLPNJFGPIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6OSi/c1-21(2)26-15-12-23(19-35-26)27-16-17-28-31(36-27)38(30(37-28)25-9-8-18-34-29(25)33)24-13-10-22(11-14-24)20-39-40(6,7)32(3,4)5/h8-19,21H,20H2,1-7H3,(H2,33,34).
What are the key properties of 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 550.78 g/mol, XLogP of 7.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171599545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).