3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide

C17H20FN3O4S — CID 166682445

IUPAC3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide
SMILESCCC1C(COc2c(C)sc3cc(C(N)=O)c(OC)nc23)NC(=O)C1F
InChIInChI=1S/C17H20FN3O4S/c1-4-8-10(20-16(23)12(8)18)6-25-14-7(2)26-11-5-9(15(19)22)17(24-3)21-13(11)14/h5,8,10,12H,4,6H2,1-3H3,(H2,19,22)(H,20,23)
InChIKeyLSDQOYGTTSEFJM-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.95
Rot. Bonds6

About 3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide

3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide (PubChem CID 166682445) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide
PubChem CID166682445
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC Name3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide
SMILESCCC1C(COc2c(C)sc3cc(C(N)=O)c(OC)nc23)NC(=O)C1F
InChIInChI=1S/C17H20FN3O4S/c1-4-8-10(20-16(23)12(8)18)6-25-14-7(2)26-11-5-9(15(19)22)17(24-3)21-13(11)14/h5,8,10,12H,4,6H2,1-3H3,(H2,19,22)(H,20,23)
InChIKeyLSDQOYGTTSEFJM-UHFFFAOYSA-N
XLogP1.95
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide with MolForge

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Related Compounds

US10829496, Example 1
CID 135376381
US10829496, Example 8
CID 135376431
US10829496, Example 24
CID 135376084
US10829496, Example 12
CID 135376085
US10829496, Example 2
CID 135376088
US10829496, Example 28
CID 135376133
US10829496, Example 27
CID 135376290
US10829496, Example 23
CID 135376449
US10829496, Example 18
CID 135376548
US10829496, Example 21
CID 135376556
US10829496, Example 11
CID 135376592
US10829496, Example 22
CID 135376599

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide (CID 166682445) is 3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide is CCC1C(COc2c(C)sc3cc(C(N)=O)c(OC)nc23)NC(=O)C1F.
What is the InChIKey of 3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is LSDQOYGTTSEFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-4-8-10(20-16(23)12(8)18)6-25-14-7(2)26-11-5-9(15(19)22)17(24-3)21-13(11)14/h5,8,10,12H,4,6H2,1-3H3,(H2,19,22)(H,20,23).
What are the key properties of 3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide?
3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 166682445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).