5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide

C23H19F2N3O3S — CID 10253488

IUPAC5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc3cc(Cc4ccc(F)c(F)c4)c(=O)n(C)c3s2)ccn1
InChIInChI=1S/C23H19F2N3O3S/c1-28-22(30)15(7-13-3-4-17(24)18(25)8-13)10-16-11-19(32-23(16)28)21(29)27-12-14-5-6-26-20(9-14)31-2/h3-6,8-11H,7,12H2,1-2H3,(H,27,29)
InChIKeyHBUVHKDKKMVLIJ-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.80
Rot. Bonds6

About 5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide

5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide (PubChem CID 10253488) has the molecular formula C23H19F2N3O3S and a molecular weight of 455.49 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide
PubChem CID10253488
Molecular FormulaC23H19F2N3O3S
Molecular Weight455.49 g/mol
Exact Mass455.11
IUPAC Name5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc3cc(Cc4ccc(F)c(F)c4)c(=O)n(C)c3s2)ccn1
InChIInChI=1S/C23H19F2N3O3S/c1-28-22(30)15(7-13-3-4-17(24)18(25)8-13)10-16-11-19(32-23(16)28)21(29)27-12-14-5-6-26-20(9-14)31-2/h3-6,8-11H,7,12H2,1-2H3,(H,27,29)
InChIKeyHBUVHKDKKMVLIJ-UHFFFAOYSA-N
XLogP3.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 10970792
5-(4-Methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 11784052
5-(4-Methoxyphenyl)-13-(propylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16117042
5-(3-Fluoro-4-methoxyphenyl)-13-(methylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16117300
5-(2-Fluoro-4-methoxyphenyl)-13-(methylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16117303
5-Cyclohexyl-13-methoxy-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118256
13-(Ethylamino)-5-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118536
13-(Dimethylamino)-5-(3-fluoro-4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118682
13-(Dimethylamino)-5-(2-fluoro-4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118813
N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24830567
2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-2-yl)acetamide
CID 60097396
3-((4-(Aminomethyl)pyridin-2-yl)oxy)-N-(benzo[b]thiophen-2-ylmethyl)benzamide hydrochloride
CID 122516222

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide (CID 10253488) is 5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide is COc1cc(CNC(=O)c2cc3cc(Cc4ccc(F)c(F)c4)c(=O)n(C)c3s2)ccn1.
What is the InChIKey of 5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HBUVHKDKKMVLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3S/c1-28-22(30)15(7-13-3-4-17(24)18(25)8-13)10-16-11-19(32-23(16)28)21(29)27-12-14-5-6-26-20(9-14)31-2/h3-6,8-11H,7,12H2,1-2H3,(H,27,29).
What are the key properties of 5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide?
5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7-methyl-6-oxothieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 10253488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).