(7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C17H19NO3S — CID 42578345

IUPAC(7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1OC(C)C
InChIInChI=1S/C17H19NO3S/c1-10(2)21-15-8-11(4-5-14(15)20-3)12-9-16(19)18-13-6-7-22-17(12)13/h4-8,10,12H,9H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyVPQQUCWVYCDMOV-GFCCVEGCSA-N
MW317.41 g/mol
LogP4.02
Rot. Bonds4

About (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

(7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42578345) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42578345
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name(7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1OC(C)C
InChIInChI=1S/C17H19NO3S/c1-10(2)21-15-8-11(4-5-14(15)20-3)12-9-16(19)18-13-6-7-22-17(12)13/h4-8,10,12H,9H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyVPQQUCWVYCDMOV-GFCCVEGCSA-N
XLogP4.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42578345) is (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1OC(C)C.
What is the InChIKey of (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is VPQQUCWVYCDMOV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-10(2)21-15-8-11(4-5-14(15)20-3)12-9-16(19)18-13-6-7-22-17(12)13/h4-8,10,12H,9H2,1-3H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 317.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42578345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).