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

C21H18FNO2S — CID 94086264

IUPAC(7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCOc1ccccc1[C@H]1CC(=O)Nc2c(-c3ccccc3F)csc21
InChIInChI=1S/C21H18FNO2S/c1-2-25-18-10-6-4-8-14(18)15-11-19(24)23-20-16(12-26-21(15)20)13-7-3-5-9-17(13)22/h3-10,12,15H,2,11H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyQRYIEDRUBGAAHO-OAHLLOKOSA-N
MW367.45 g/mol
LogP5.43
Rot. Bonds4

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

(7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 94086264) has the molecular formula C21H18FNO2S and a molecular weight of 367.45 g/mol. Its IUPAC name is (7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID94086264
Molecular FormulaC21H18FNO2S
Molecular Weight367.45 g/mol
Exact Mass367.10
IUPAC Name(7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCOc1ccccc1[C@H]1CC(=O)Nc2c(-c3ccccc3F)csc21
InChIInChI=1S/C21H18FNO2S/c1-2-25-18-10-6-4-8-14(18)15-11-19(24)23-20-16(12-26-21(15)20)13-7-3-5-9-17(13)22/h3-10,12,15H,2,11H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyQRYIEDRUBGAAHO-OAHLLOKOSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086268
(7S)-3-(2-fluorophenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086317
(7R)-7-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086356
3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811692
(7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086334
(7S)-7-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086353
(7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086255
(7R)-3-(4-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086519
(7R)-7-(2-ethoxy-3-methoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086523
7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811402
7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50945296
7-(2-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811489

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 94086264) is (7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is CCOc1ccccc1[C@H]1CC(=O)Nc2c(-c3ccccc3F)csc21.
What is the InChIKey of (7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is QRYIEDRUBGAAHO-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H18FNO2S/c1-2-25-18-10-6-4-8-14(18)15-11-19(24)23-20-16(12-26-21(15)20)13-7-3-5-9-17(13)22/h3-10,12,15H,2,11H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of (7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 367.45 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 94086264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).