tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate

C17H25N3O3 — CID 71521590

IUPACtert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate
SMILESCCc1nc2c(=O)n(CC(C)C)ccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25N3O3/c1-7-13-18-14-12(20(13)16(22)23-17(4,5)6)8-9-19(15(14)21)10-11(2)3/h8-9,11H,7,10H2,1-6H3
InChIKeyYHBYKMGEABSXDY-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.20
Rot. Bonds3

About tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate

tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate (PubChem CID 71521590) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate
PubChem CID71521590
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nametert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate
SMILESCCc1nc2c(=O)n(CC(C)C)ccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25N3O3/c1-7-13-18-14-12(20(13)16(22)23-17(4,5)6)8-9-19(15(14)21)10-11(2)3/h8-9,11H,7,10H2,1-6H3
InChIKeyYHBYKMGEABSXDY-UHFFFAOYSA-N
XLogP3.20
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate (CID 71521590) is tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate is CCc1nc2c(=O)n(CC(C)C)ccc2n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate?
The InChIKey is YHBYKMGEABSXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-7-13-18-14-12(20(13)16(22)23-17(4,5)6)8-9-19(15(14)21)10-11(2)3/h8-9,11H,7,10H2,1-6H3.
What are the key properties of tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate?
tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate has a molecular weight of 319.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate is sourced from PubChem (CID 71521590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).