tert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin

C15H21N3O2Sn — CID 141207711

IUPACtert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin
SMILESCC(C)(C)OC(=O)n1cnc2cc([Sn]C(C)(C)C)cnc21
InChIInChI=1S/C11H12N3O2.C4H9.Sn/c1-11(2,3)16-10(15)14-7-13-8-5-4-6-12-9(8)14;1-4(2)3;/h5-7H,1-3H3;1-3H3;
InChIKeyOVAAGTLDXXLJCC-UHFFFAOYSA-N
MW394.06 g/mol
LogP2.76
Rot. Bonds1

About tert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin

tert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin (PubChem CID 141207711) has the molecular formula C15H21N3O2Sn and a molecular weight of 394.06 g/mol. Its IUPAC name is tert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin.

Molecular Properties

Compound Nametert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin
PubChem CID141207711
Molecular FormulaC15H21N3O2Sn
Molecular Weight394.06 g/mol
Exact Mass395.07
IUPAC Nametert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin
SMILESCC(C)(C)OC(=O)n1cnc2cc([Sn]C(C)(C)C)cnc21
InChIInChI=1S/C11H12N3O2.C4H9.Sn/c1-11(2,3)16-10(15)14-7-13-8-5-4-6-12-9(8)14;1-4(2)3;/h5-7H,1-3H3;1-3H3;
InChIKeyOVAAGTLDXXLJCC-UHFFFAOYSA-N
XLogP2.76
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.06
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-chloropurine-9-carboxylate
CID 150359952
tert-butyl 6-chloroimidazo[4,5-c]pyridine-1-carboxylate
CID 170576793
tert-butyl 6-methylbenzimidazole-1-carboxylate
CID 59283343
tert-butyl 6-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfanylimidazo[4,5-b]pyridine-3-carboxylate
CID 168898857
tert-butyl 6,7-dichlorobenzimidazole-1-carboxylate
CID 69432928
tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate
CID 152563693
tert-butyl 5-bromo-3-methylpyrrolo[2,3-b]pyridine-1-carboxylate
CID 73013576
tert-butyl 5-formylbenzimidazole-1-carboxylate;tert-butyl 6-formylbenzimidazole-1-carboxylate
CID 161032302
tert-butyl 4-chloro-5-fluoropyrrolo[2,3-b]pyridine-1-carboxylate
CID 146296445
tert-butyl 6-(bromomethyl)-7-fluoro-4-oxoquinazoline-3-carboxylate
CID 59283408
tert-butyl 2,4-dihydroxypyrrole-1-carboxylate
CID 91283692
1-O-tert-butyl 4-O,5-O-dimethyl imidazole-1,4,5-tricarboxylate
CID 58928819

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin?
The IUPAC name of tert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin (CID 141207711) is tert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin.
What is the SMILES notation for tert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin?
The canonical SMILES for tert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin is CC(C)(C)OC(=O)n1cnc2cc([Sn]C(C)(C)C)cnc21.
What is the InChIKey of tert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin?
The InChIKey is OVAAGTLDXXLJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N3O2.C4H9.Sn/c1-11(2,3)16-10(15)14-7-13-8-5-4-6-12-9(8)14;1-4(2)3;/h5-7H,1-3H3;1-3H3;.
What are the key properties of tert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin?
tert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin has a molecular weight of 394.06 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[4,5-b]pyridin-6-yl]tin is sourced from PubChem (CID 141207711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).