3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C22H27N7O2Si — CID 174281020

IUPAC3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCOc1cnc(-c2ccc3nc(-c4cccnc4N)n(O[Si](C)(C)C(C)(C)C)c3n2)nc1
InChIInChI=1S/C22H27N7O2Si/c1-22(2,3)32(5,6)31-29-20(15-8-7-11-24-18(15)23)28-17-10-9-16(27-21(17)29)19-25-12-14(30-4)13-26-19/h7-13H,1-6H3,(H2,23,24)
InChIKeyKSMOZGVLNCJNSW-UHFFFAOYSA-N
MW449.59 g/mol
LogP3.97
Rot. Bonds5

About 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 174281020) has the molecular formula C22H27N7O2Si and a molecular weight of 449.59 g/mol. Its IUPAC name is 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID174281020
Molecular FormulaC22H27N7O2Si
Molecular Weight449.59 g/mol
Exact Mass449.20
IUPAC Name3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCOc1cnc(-c2ccc3nc(-c4cccnc4N)n(O[Si](C)(C)C(C)(C)C)c3n2)nc1
InChIInChI=1S/C22H27N7O2Si/c1-22(2,3)32(5,6)31-29-20(15-8-7-11-24-18(15)23)28-17-10-9-16(27-21(17)29)19-25-12-14(30-4)13-26-19/h7-13H,1-6H3,(H2,23,24)
InChIKeyKSMOZGVLNCJNSW-UHFFFAOYSA-N
XLogP3.97
TPSA113.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.59
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-methylpyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171599467
3-(3-methoxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 174278837
3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-propan-2-yloxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171599370
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345186
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
3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171494268
3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171599236
3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171601152
3-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 176981714
3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-ethynylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171496183
5-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1-(fluoromethyl)pyridin-2-one
CID 174235823
methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate
CID 177316625

Frequently Asked Questions

What is the IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 174281020) is 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is COc1cnc(-c2ccc3nc(-c4cccnc4N)n(O[Si](C)(C)C(C)(C)C)c3n2)nc1.
What is the InChIKey of 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is KSMOZGVLNCJNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2Si/c1-22(2,3)32(5,6)31-29-20(15-8-7-11-24-18(15)23)28-17-10-9-16(27-21(17)29)19-25-12-14(30-4)13-26-19/h7-13H,1-6H3,(H2,23,24).
What are the key properties of 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 449.59 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methoxypyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 174281020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).