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

C21H18FNO3S — CID 42556489

IUPAC(7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCc1ccccc1F
InChIInChI=1S/C21H18FNO3S/c1-25-18-8-4-6-14(15-11-19(24)23-17-9-10-27-21(15)17)20(18)26-12-13-5-2-3-7-16(13)22/h2-10,15H,11-12H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyHEYYCMZEDDYGMW-OAHLLOKOSA-N
MW383.44 g/mol
LogP4.95
Rot. Bonds5

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

(7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42556489) has the molecular formula C21H18FNO3S and a molecular weight of 383.44 g/mol. Its IUPAC name is (7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42556489
Molecular FormulaC21H18FNO3S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC Name(7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCc1ccccc1F
InChIInChI=1S/C21H18FNO3S/c1-25-18-8-4-6-14(15-11-19(24)23-17-9-10-27-21(15)17)20(18)26-12-13-5-2-3-7-16(13)22/h2-10,15H,11-12H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyHEYYCMZEDDYGMW-OAHLLOKOSA-N
XLogP4.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42556489) is (7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCc1ccccc1F.
What is the InChIKey of (7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is HEYYCMZEDDYGMW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H18FNO3S/c1-25-18-8-4-6-14(15-11-19(24)23-17-9-10-27-21(15)17)20(18)26-12-13-5-2-3-7-16(13)22/h2-10,15H,11-12H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of (7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 383.44 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42556489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).