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

C17H20FN3O4S — CID 135376599

IUPAC3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1c(C)sc2cc(C(N)=O)c(OC)nc12
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)/t8-,10+,12-/m0/s1
InChIKeyLSDQOYGTTSEFJM-XRNSZHNASA-N
MW381.43 g/mol
LogP1.95
Rot. Bonds6

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

3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide (PubChem CID 135376599) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide
PubChem CID135376599
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC Name3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1c(C)sc2cc(C(N)=O)c(OC)nc12
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)/t8-,10+,12-/m0/s1
InChIKeyLSDQOYGTTSEFJM-XRNSZHNASA-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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide (CID 135376599) is 3-[[(2S,3S,4S)-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-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide is CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1c(C)sc2cc(C(N)=O)c(OC)nc12.
What is the InChIKey of 3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is LSDQOYGTTSEFJM-XRNSZHNASA-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)/t8-,10+,12-/m0/s1.
What are the key properties of 3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide?
3-[[(2S,3S,4S)-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-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 135376599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).