tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate

C19H22N4O3 — CID 71521758

IUPACtert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate
SMILESCCc1nc2c(=O)n(Cc3cccnc3)ccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C19H22N4O3/c1-5-15-21-16-14(23(15)18(25)26-19(2,3)4)8-10-22(17(16)24)12-13-7-6-9-20-11-13/h6-11H,5,12H2,1-4H3
InChIKeyOWJSULBURCRUEP-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.99
Rot. Bonds3

About tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate

tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate (PubChem CID 71521758) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate
PubChem CID71521758
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Nametert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate
SMILESCCc1nc2c(=O)n(Cc3cccnc3)ccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C19H22N4O3/c1-5-15-21-16-14(23(15)18(25)26-19(2,3)4)8-10-22(17(16)24)12-13-7-6-9-20-11-13/h6-11H,5,12H2,1-4H3
InChIKeyOWJSULBURCRUEP-UHFFFAOYSA-N
XLogP2.99
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate
CID 71521590
4-ethyl-11-(pyridin-3-ylmethyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66505496
2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one
CID 45095780
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid
CID 51440497
tert-butyl N-[2-[3-(pyridin-3-ylmethyl)imidazol-4-yl]ethyl]carbamate
CID 104952077
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172658355
tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate
CID 170071189
tert-butyl 2-[[3-[[(E)-7-(dimethylamino)-7-oxohept-5-enoyl]amino]-2-oxo-1-pyridinyl]methyl]-4-(2,2-dimethylpropyl)benzimidazole-1-carboxylate
CID 170072152
tert-butyl 4-oxo-5-pyridin-3-ylpentanoate
CID 58498103
1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 115590423
4-methyl-2-oxo-1-(pyridin-3-ylmethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 172666114
tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate
CID 67902718

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate (CID 71521758) is tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate is CCc1nc2c(=O)n(Cc3cccnc3)ccc2n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate?
The InChIKey is OWJSULBURCRUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-5-15-21-16-14(23(15)18(25)26-19(2,3)4)8-10-22(17(16)24)12-13-7-6-9-20-11-13/h6-11H,5,12H2,1-4H3.
What are the key properties of tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate?
tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate is sourced from PubChem (CID 71521758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).