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

C16H18FN3O4S — CID 135376431

IUPAC3-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
SMILESCC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@@H]1F
InChIInChI=1S/C16H18FN3O4S/c1-3-7-9(19-15(22)12(7)17)5-24-10-6-25-11-4-8(14(18)21)16(23-2)20-13(10)11/h4,6-7,9,12H,3,5H2,1-2H3,(H2,18,21)(H,19,22)/t7-,9+,12+/m0/s1
InChIKeyVCFPCGNQQWIFHX-LPBBDHJYSA-N
MW367.40 g/mol
LogP1.65
Rot. Bonds6

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

3-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide (PubChem CID 135376431) has the molecular formula C16H18FN3O4S and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
PubChem CID135376431
Molecular FormulaC16H18FN3O4S
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC Name3-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
SMILESCC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@@H]1F
InChIInChI=1S/C16H18FN3O4S/c1-3-7-9(19-15(22)12(7)17)5-24-10-6-25-11-4-8(14(18)21)16(23-2)20-13(10)11/h4,6-7,9,12H,3,5H2,1-2H3,(H2,18,21)(H,19,22)/t7-,9+,12+/m0/s1
InChIKeyVCFPCGNQQWIFHX-LPBBDHJYSA-N
XLogP1.65
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 3-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide (CID 135376431) is 3-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide is CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@@H]1F.
What is the InChIKey of 3-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is VCFPCGNQQWIFHX-LPBBDHJYSA-N. The full InChI is InChI=1S/C16H18FN3O4S/c1-3-7-9(19-15(22)12(7)17)5-24-10-6-25-11-4-8(14(18)21)16(23-2)20-13(10)11/h4,6-7,9,12H,3,5H2,1-2H3,(H2,18,21)(H,19,22)/t7-,9+,12+/m0/s1.
What are the key properties of 3-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
3-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 135376431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).