ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C19H19N3O3S — CID 165143269

IUPACethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1csc2c1CC(C)N(C(=O)c1cnc3ccccn13)C2
InChIInChI=1S/C19H19N3O3S/c1-3-25-19(24)14-11-26-16-10-22(12(2)8-13(14)16)18(23)15-9-20-17-6-4-5-7-21(15)17/h4-7,9,11-12H,3,8,10H2,1-2H3
InChIKeyAFBGOUDVVBZOGP-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.16
Rot. Bonds3

About ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 165143269) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID165143269
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Nameethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1csc2c1CC(C)N(C(=O)c1cnc3ccccn13)C2
InChIInChI=1S/C19H19N3O3S/c1-3-25-19(24)14-11-26-16-10-22(12(2)8-13(14)16)18(23)15-9-20-17-6-4-5-7-21(15)17/h4-7,9,11-12H,3,8,10H2,1-2H3
InChIKeyAFBGOUDVVBZOGP-UHFFFAOYSA-N
XLogP3.16
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

(7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 172516969
4-(3-ethylphenyl)-1-[6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]butan-1-one
CID 165143502
ethyl 6-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 172516976
ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 170560702
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 55405103
6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 172516951
3-ethyl-5-(2-fluoropropan-2-yl)benzonitrile;1-[6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
CID 165143436
ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
CID 16614782
ethyl 5,7-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 114748162
N-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]-6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 172516977
ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate
CID 122145273
6-O-tert-butyl 3-O-ethyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 165143435

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 165143269) is ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1csc2c1CC(C)N(C(=O)c1cnc3ccccn13)C2.
What is the InChIKey of ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is AFBGOUDVVBZOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-3-25-19(24)14-11-26-16-10-22(12(2)8-13(14)16)18(23)15-9-20-17-6-4-5-7-21(15)17/h4-7,9,11-12H,3,8,10H2,1-2H3.
What are the key properties of ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 369.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 165143269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).