tert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate

C17H24N4O4 — CID 22293280

IUPACtert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
SMILESCOc1ccc2c(n1)[nH]c(=O)n2C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H24N4O4/c1-17(2,3)25-16(23)20-9-7-11(8-10-20)21-12-5-6-13(24-4)18-14(12)19-15(21)22/h5-6,11H,7-10H2,1-4H3,(H,18,19,22)
InChIKeyIQMGCIDHDONVQG-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.31
Rot. Bonds2

About tert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate

tert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate (PubChem CID 22293280) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is tert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
PubChem CID22293280
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Nametert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
SMILESCOc1ccc2c(n1)[nH]c(=O)n2C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H24N4O4/c1-17(2,3)25-16(23)20-9-7-11(8-10-20)21-12-5-6-13(24-4)18-14(12)19-15(21)22/h5-6,11H,7-10H2,1-4H3,(H,18,19,22)
InChIKeyIQMGCIDHDONVQG-UHFFFAOYSA-N
XLogP2.31
TPSA89.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate (CID 22293280) is tert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate is COc1ccc2c(n1)[nH]c(=O)n2C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate?
The InChIKey is IQMGCIDHDONVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-17(2,3)25-16(23)20-9-7-11(8-10-20)21-12-5-6-13(24-4)18-14(12)19-15(21)22/h5-6,11H,7-10H2,1-4H3,(H,18,19,22).
What are the key properties of tert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 22293280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).