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

C19H15NO5S — CID 97105143

IUPACmethyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
SMILESCOC(=O)[C@H]1c2ccsc2CCN1C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H15NO5S/c1-24-19(23)17-12-7-9-26-16(12)6-8-20(17)18(22)15-10-13(21)11-4-2-3-5-14(11)25-15/h2-5,7,9-10,17H,6,8H2,1H3/t17-/m1/s1
InChIKeyLPEGFCKXHSVUNQ-QGZVFWFLSA-N
MW369.40 g/mol
LogP2.77
Rot. Bonds2

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

methyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate (PubChem CID 97105143) has the molecular formula C19H15NO5S and a molecular weight of 369.40 g/mol. Its IUPAC name is methyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
PubChem CID97105143
Molecular FormulaC19H15NO5S
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC Namemethyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
SMILESCOC(=O)[C@H]1c2ccsc2CCN1C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H15NO5S/c1-24-19(23)17-12-7-9-26-16(12)6-8-20(17)18(22)15-10-13(21)11-4-2-3-5-14(11)25-15/h2-5,7,9-10,17H,6,8H2,1H3/t17-/m1/s1
InChIKeyLPEGFCKXHSVUNQ-QGZVFWFLSA-N
XLogP2.77
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 5-(2-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565267
methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565392
methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565388
methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565269
methyl 5-(4-fluorobenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565283
methyl (4S)-5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 97105128
methyl 5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565363
methyl 5-(6-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565186
2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one
CID 121154299
methyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565229
2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one
CID 97098180
2-(2-propyl-1,3-thiazolidine-3-carbonyl)chromen-4-one
CID 71875375

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
The IUPAC name of methyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate (CID 97105143) is methyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
The canonical SMILES for methyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate is COC(=O)[C@H]1c2ccsc2CCN1C(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of methyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
The InChIKey is LPEGFCKXHSVUNQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H15NO5S/c1-24-19(23)17-12-7-9-26-16(12)6-8-20(17)18(22)15-10-13(21)11-4-2-3-5-14(11)25-15/h2-5,7,9-10,17H,6,8H2,1H3/t17-/m1/s1.
What are the key properties of methyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
methyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate has a molecular weight of 369.40 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate is sourced from PubChem (CID 97105143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).