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

C14H14FN3O4S — CID 135376592

IUPAC3-[[(2S,4R)-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
SMILESCOc1nc2c(OC[C@@H]3C[C@@H](F)C(=O)N3)csc2cc1C(N)=O
InChIInChI=1S/C14H14FN3O4S/c1-21-14-7(12(16)19)3-10-11(18-14)9(5-23-10)22-4-6-2-8(15)13(20)17-6/h3,5-6,8H,2,4H2,1H3,(H2,16,19)(H,17,20)/t6-,8+/m0/s1
InChIKeyGSTVNFHWOCHAQX-POYBYMJQSA-N
MW339.35 g/mol
LogP1.01
Rot. Bonds5

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

3-[[(2S,4R)-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide (PubChem CID 135376592) has the molecular formula C14H14FN3O4S and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-[[(2S,4R)-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[[(2S,4R)-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
PubChem CID135376592
Molecular FormulaC14H14FN3O4S
Molecular Weight339.35 g/mol
Exact Mass339.07
IUPAC Name3-[[(2S,4R)-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
SMILESCOc1nc2c(OC[C@@H]3C[C@@H](F)C(=O)N3)csc2cc1C(N)=O
InChIInChI=1S/C14H14FN3O4S/c1-21-14-7(12(16)19)3-10-11(18-14)9(5-23-10)22-4-6-2-8(15)13(20)17-6/h3,5-6,8H,2,4H2,1H3,(H2,16,19)(H,17,20)/t6-,8+/m0/s1
InChIKeyGSTVNFHWOCHAQX-POYBYMJQSA-N
XLogP1.01
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,4R)-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 3-[[(2S,4R)-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide (CID 135376592) is 3-[[(2S,4R)-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[[(2S,4R)-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[[(2S,4R)-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide is COc1nc2c(OC[C@@H]3C[C@@H](F)C(=O)N3)csc2cc1C(N)=O.
What is the InChIKey of 3-[[(2S,4R)-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is GSTVNFHWOCHAQX-POYBYMJQSA-N. The full InChI is InChI=1S/C14H14FN3O4S/c1-21-14-7(12(16)19)3-10-11(18-14)9(5-23-10)22-4-6-2-8(15)13(20)17-6/h3,5-6,8H,2,4H2,1H3,(H2,16,19)(H,17,20)/t6-,8+/m0/s1.
What are the key properties of 3-[[(2S,4R)-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
3-[[(2S,4R)-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,4R)-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 135376592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).