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

C17H14N3O3S- — CID 172516969

IUPAC(7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESC[C@@H]1c2scc(C(=O)[O-])c2CCN1C(=O)c1cnc2ccccn12
InChIInChI=1S/C17H15N3O3S/c1-10-15-11(12(9-24-15)17(22)23)5-7-19(10)16(21)13-8-18-14-4-2-3-6-20(13)14/h2-4,6,8-10H,5,7H2,1H3,(H,22,23)/p-1/t10-/m1/s1
InChIKeySSRCFSRPLQNNRJ-SNVBAGLBSA-M
MW340.38 g/mol
LogP1.52
Rot. Bonds2

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

(7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 172516969) has the molecular formula C17H14N3O3S- and a molecular weight of 340.38 g/mol. Its IUPAC name is (7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Name(7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID172516969
Molecular FormulaC17H14N3O3S-
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name(7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESC[C@@H]1c2scc(C(=O)[O-])c2CCN1C(=O)c1cnc2ccccn12
InChIInChI=1S/C17H15N3O3S/c1-10-15-11(12(9-24-15)17(22)23)5-7-19(10)16(21)13-8-18-14-4-2-3-6-20(13)14/h2-4,6,8-10H,5,7H2,1H3,(H,22,23)/p-1/t10-/m1/s1
InChIKeySSRCFSRPLQNNRJ-SNVBAGLBSA-M
XLogP1.52
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 165143269
4-(imidazo[1,2-a]pyridine-3-carbonyl)benzoic acid
CID 67003128
imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone
CID 46846990
1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 97226980
(3-bromo-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 24897016
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
(3-bromo-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 24897014
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
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
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
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
imidazo[1,2-a]pyridin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945776

Frequently Asked Questions

What is the IUPAC name of (7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of (7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 172516969) is (7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for (7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for (7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is C[C@@H]1c2scc(C(=O)[O-])c2CCN1C(=O)c1cnc2ccccn12.
What is the InChIKey of (7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is SSRCFSRPLQNNRJ-SNVBAGLBSA-M. The full InChI is InChI=1S/C17H15N3O3S/c1-10-15-11(12(9-24-15)17(22)23)5-7-19(10)16(21)13-8-18-14-4-2-3-6-20(13)14/h2-4,6,8-10H,5,7H2,1H3,(H,22,23)/p-1/t10-/m1/s1.
What are the key properties of (7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
(7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6-(imidazo[1,2-a]pyridine-3-carbonyl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 172516969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).