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

C17H15N3O3S — CID 170560724

IUPACmethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)CN(C(=O)c1cnc3ccccn13)CC2
InChIInChI=1S/C17H15N3O3S/c1-23-17(22)13-8-11-5-7-19(10-14(11)24-13)16(21)12-9-18-15-4-2-3-6-20(12)15/h2-4,6,8-9H,5,7,10H2,1H3
InChIKeyLLQXMCMFLSSIKI-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.38
Rot. Bonds2

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

methyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate (PubChem CID 170560724) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is methyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate
PubChem CID170560724
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Namemethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)CN(C(=O)c1cnc3ccccn13)CC2
InChIInChI=1S/C17H15N3O3S/c1-23-17(22)13-8-11-5-7-19(10-14(11)24-13)16(21)12-9-18-15-4-2-3-6-20(12)15/h2-4,6,8-9H,5,7,10H2,1H3
InChIKeyLLQXMCMFLSSIKI-UHFFFAOYSA-N
XLogP2.38
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
methyl 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiophene-2-carboxylate
CID 35184726
1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 97226980
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 170560748
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
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone
CID 110855295
imidazo[1,2-a]pyridin-3-yl-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457705
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
N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157601
6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157803
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126473473
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

Frequently Asked Questions

What is the IUPAC name of methyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate (CID 170560724) is methyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2c(s1)CN(C(=O)c1cnc3ccccn13)CC2.
What is the InChIKey of methyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is LLQXMCMFLSSIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-23-17(22)13-8-11-5-7-19(10-14(11)24-13)16(21)12-9-18-15-4-2-3-6-20(12)15/h2-4,6,8-9H,5,7,10H2,1H3.
What are the key properties of methyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate?
methyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 170560724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).