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

C24H25NO3S — CID 94086039

IUPAC(7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cc([C@H]2CC(=O)Nc3c(-c4ccccc4)csc32)ccc1OCC(C)C
InChIInChI=1S/C24H25NO3S/c1-15(2)13-28-20-10-9-17(11-21(20)27-3)18-12-22(26)25-23-19(14-29-24(18)23)16-7-5-4-6-8-16/h4-11,14-15,18H,12-13H2,1-3H3,(H,25,26)/t18-/m1/s1
InChIKeyUMGNZUXQUYJMMG-GOSISDBHSA-N
MW407.54 g/mol
LogP5.93
Rot. Bonds6

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

(7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 94086039) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is (7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID94086039
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name(7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cc([C@H]2CC(=O)Nc3c(-c4ccccc4)csc32)ccc1OCC(C)C
InChIInChI=1S/C24H25NO3S/c1-15(2)13-28-20-10-9-17(11-21(20)27-3)18-12-22(26)25-23-19(14-29-24(18)23)16-7-5-4-6-8-16/h4-11,14-15,18H,12-13H2,1-3H3,(H,25,26)/t18-/m1/s1
InChIKeyUMGNZUXQUYJMMG-GOSISDBHSA-N
XLogP5.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-3-(2-fluorophenyl)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086321
(7R)-7-(4-ethoxy-3-methoxyphenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086408
(7R)-7-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086539
(7S)-3-(3,4-dimethoxyphenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 26433683
(7S)-7-(3-methoxy-4-prop-2-ynoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086087
3-(4-fluorophenyl)-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811430
(7S)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061707
(7S)-3-(3-fluorophenyl)-7-(3-methoxy-4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086415
2-[2-methoxy-4-[(7S)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide
CID 94086184
7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811402
(7R)-7-(4-ethoxyphenyl)-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 92715902
(7S)-3-phenyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 92715903

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 94086039) is (7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1cc([C@H]2CC(=O)Nc3c(-c4ccccc4)csc32)ccc1OCC(C)C.
What is the InChIKey of (7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is UMGNZUXQUYJMMG-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-15(2)13-28-20-10-9-17(11-21(20)27-3)18-12-22(26)25-23-19(14-29-24(18)23)16-7-5-4-6-8-16/h4-11,14-15,18H,12-13H2,1-3H3,(H,25,26)/t18-/m1/s1.
What are the key properties of (7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 407.54 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 94086039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).