(7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C24H25NO3S — CID 94086142

IUPAC(7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCCCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1
InChIInChI=1S/C24H25NO3S/c1-3-4-13-28-19-11-7-16(8-12-19)20-14-22(26)25-23-21(15-29-24(20)23)17-5-9-18(27-2)10-6-17/h5-12,15,20H,3-4,13-14H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyRDIOKXFCINBPLC-HXUWFJFHSA-N
MW407.54 g/mol
LogP6.08
Rot. Bonds7

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

(7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 94086142) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is (7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID94086142
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name(7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCCCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1
InChIInChI=1S/C24H25NO3S/c1-3-4-13-28-19-11-7-16(8-12-19)20-14-22(26)25-23-21(15-29-24(20)23)17-5-9-18(27-2)10-6-17/h5-12,15,20H,3-4,13-14H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyRDIOKXFCINBPLC-HXUWFJFHSA-N
XLogP6.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one with MolForge

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Related Compounds

3-(4-methoxyphenyl)-7-(4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811599
(7S)-3-phenyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 92715903
(7S)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086223
7-(2-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811489
methyl 4-[3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoate
CID 50811476
(7R)-7-(4-ethoxyphenyl)-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 92715902
(7R)-7-(2-butoxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086129
3-(4-methylphenyl)-7-(4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811544
(7S)-7-(3-methoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086133
(7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086063
(7S)-3-(4-methoxyphenyl)-7-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95054364
7-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811436

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 94086142) is (7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is CCCCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1.
What is the InChIKey of (7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is RDIOKXFCINBPLC-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-3-4-13-28-19-11-7-16(8-12-19)20-14-22(26)25-23-21(15-29-24(20)23)17-5-9-18(27-2)10-6-17/h5-12,15,20H,3-4,13-14H2,1-2H3,(H,25,26)/t20-/m1/s1.
What are the key properties of (7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 407.54 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 94086142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).