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

C15H15F2N3O4S — CID 135376085

IUPAC3-[[(2S,3R)-3-(difluoromethyl)-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
SMILESCOc1nc2c(OC[C@H]3NC(=O)C[C@H]3C(F)F)csc2cc1C(N)=O
InChIInChI=1S/C15H15F2N3O4S/c1-23-15-7(14(18)22)2-10-12(20-15)9(5-25-10)24-4-8-6(13(16)17)3-11(21)19-8/h2,5-6,8,13H,3-4H2,1H3,(H2,18,22)(H,19,21)/t6-,8-/m1/s1
InChIKeyKYAUGNGWRPHIKM-HTRCEHHLSA-N
MW371.37 g/mol
LogP1.55
Rot. Bonds6

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

3-[[(2S,3R)-3-(difluoromethyl)-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide (PubChem CID 135376085) has the molecular formula C15H15F2N3O4S and a molecular weight of 371.37 g/mol. Its IUPAC name is 3-[[(2S,3R)-3-(difluoromethyl)-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[[(2S,3R)-3-(difluoromethyl)-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
PubChem CID135376085
Molecular FormulaC15H15F2N3O4S
Molecular Weight371.37 g/mol
Exact Mass371.08
IUPAC Name3-[[(2S,3R)-3-(difluoromethyl)-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
SMILESCOc1nc2c(OC[C@H]3NC(=O)C[C@H]3C(F)F)csc2cc1C(N)=O
InChIInChI=1S/C15H15F2N3O4S/c1-23-15-7(14(18)22)2-10-12(20-15)9(5-25-10)24-4-8-6(13(16)17)3-11(21)19-8/h2,5-6,8,13H,3-4H2,1H3,(H2,18,22)(H,19,21)/t6-,8-/m1/s1
InChIKeyKYAUGNGWRPHIKM-HTRCEHHLSA-N
XLogP1.55
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,3R)-3-(difluoromethyl)-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 3-[[(2S,3R)-3-(difluoromethyl)-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide (CID 135376085) is 3-[[(2S,3R)-3-(difluoromethyl)-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[[(2S,3R)-3-(difluoromethyl)-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[[(2S,3R)-3-(difluoromethyl)-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide is COc1nc2c(OC[C@H]3NC(=O)C[C@H]3C(F)F)csc2cc1C(N)=O.
What is the InChIKey of 3-[[(2S,3R)-3-(difluoromethyl)-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is KYAUGNGWRPHIKM-HTRCEHHLSA-N. The full InChI is InChI=1S/C15H15F2N3O4S/c1-23-15-7(14(18)22)2-10-12(20-15)9(5-25-10)24-4-8-6(13(16)17)3-11(21)19-8/h2,5-6,8,13H,3-4H2,1H3,(H2,18,22)(H,19,21)/t6-,8-/m1/s1.
What are the key properties of 3-[[(2S,3R)-3-(difluoromethyl)-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
3-[[(2S,3R)-3-(difluoromethyl)-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,3R)-3-(difluoromethyl)-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 135376085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).