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

C18H22FN3O4S — CID 135376449

IUPAC3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-propan-2-yloxythieno[3,2-b]pyridine-6-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1csc2cc(C(N)=O)c(OC(C)C)nc12
InChIInChI=1S/C18H22FN3O4S/c1-4-9-11(21-17(24)14(9)19)6-25-12-7-27-13-5-10(16(20)23)18(22-15(12)13)26-8(2)3/h5,7-9,11,14H,4,6H2,1-3H3,(H2,20,23)(H,21,24)/t9-,11+,14-/m0/s1
InChIKeyGEWAWLWMBOMUII-PXWWUCIGSA-N
MW395.46 g/mol
LogP2.42
Rot. Bonds7

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

3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-propan-2-yloxythieno[3,2-b]pyridine-6-carboxamide (PubChem CID 135376449) has the molecular formula C18H22FN3O4S and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-propan-2-yloxythieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-propan-2-yloxythieno[3,2-b]pyridine-6-carboxamide
PubChem CID135376449
Molecular FormulaC18H22FN3O4S
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC Name3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-propan-2-yloxythieno[3,2-b]pyridine-6-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1csc2cc(C(N)=O)c(OC(C)C)nc12
InChIInChI=1S/C18H22FN3O4S/c1-4-9-11(21-17(24)14(9)19)6-25-12-7-27-13-5-10(16(20)23)18(22-15(12)13)26-8(2)3/h5,7-9,11,14H,4,6H2,1-3H3,(H2,20,23)(H,21,24)/t9-,11+,14-/m0/s1
InChIKeyGEWAWLWMBOMUII-PXWWUCIGSA-N
XLogP2.42
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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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-propan-2-yloxythieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-propan-2-yloxythieno[3,2-b]pyridine-6-carboxamide (CID 135376449) is 3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-propan-2-yloxythieno[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-propan-2-yloxythieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-propan-2-yloxythieno[3,2-b]pyridine-6-carboxamide is CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1csc2cc(C(N)=O)c(OC(C)C)nc12.
What is the InChIKey of 3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-propan-2-yloxythieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is GEWAWLWMBOMUII-PXWWUCIGSA-N. The full InChI is InChI=1S/C18H22FN3O4S/c1-4-9-11(21-17(24)14(9)19)6-25-12-7-27-13-5-10(16(20)23)18(22-15(12)13)26-8(2)3/h5,7-9,11,14H,4,6H2,1-3H3,(H2,20,23)(H,21,24)/t9-,11+,14-/m0/s1.
What are the key properties of 3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-propan-2-yloxythieno[3,2-b]pyridine-6-carboxamide?
3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-propan-2-yloxythieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.42, 7 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-propan-2-yloxythieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 135376449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).