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

C15H15F2N3O4S — CID 135376556

IUPAC3-[[(2S,3S)-4,4-difluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
SMILESCOc1nc2c(OC[C@H]3NC(=O)C(F)(F)[C@H]3C)csc2cc1C(N)=O
InChIInChI=1S/C15H15F2N3O4S/c1-6-8(19-14(22)15(6,16)17)4-24-9-5-25-10-3-7(12(18)21)13(23-2)20-11(9)10/h3,5-6,8H,4H2,1-2H3,(H2,18,21)(H,19,22)/t6-,8+/m0/s1
InChIKeyUCMNRCASMUCEBF-POYBYMJQSA-N
MW371.37 g/mol
LogP1.55
Rot. Bonds5

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

3-[[(2S,3S)-4,4-difluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide (PubChem CID 135376556) has the molecular formula C15H15F2N3O4S and a molecular weight of 371.37 g/mol. Its IUPAC name is 3-[[(2S,3S)-4,4-difluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[[(2S,3S)-4,4-difluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
PubChem CID135376556
Molecular FormulaC15H15F2N3O4S
Molecular Weight371.37 g/mol
Exact Mass371.08
IUPAC Name3-[[(2S,3S)-4,4-difluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
SMILESCOc1nc2c(OC[C@H]3NC(=O)C(F)(F)[C@H]3C)csc2cc1C(N)=O
InChIInChI=1S/C15H15F2N3O4S/c1-6-8(19-14(22)15(6,16)17)4-24-9-5-25-10-3-7(12(18)21)13(23-2)20-11(9)10/h3,5-6,8H,4H2,1-2H3,(H2,18,21)(H,19,22)/t6-,8+/m0/s1
InChIKeyUCMNRCASMUCEBF-POYBYMJQSA-N
XLogP1.55
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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,3S)-4,4-difluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 3-[[(2S,3S)-4,4-difluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide (CID 135376556) is 3-[[(2S,3S)-4,4-difluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[[(2S,3S)-4,4-difluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[[(2S,3S)-4,4-difluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide is COc1nc2c(OC[C@H]3NC(=O)C(F)(F)[C@H]3C)csc2cc1C(N)=O.
What is the InChIKey of 3-[[(2S,3S)-4,4-difluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is UCMNRCASMUCEBF-POYBYMJQSA-N. The full InChI is InChI=1S/C15H15F2N3O4S/c1-6-8(19-14(22)15(6,16)17)4-24-9-5-25-10-3-7(12(18)21)13(23-2)20-11(9)10/h3,5-6,8H,4H2,1-2H3,(H2,18,21)(H,19,22)/t6-,8+/m0/s1.
What are the key properties of 3-[[(2S,3S)-4,4-difluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
3-[[(2S,3S)-4,4-difluoro-3-methyl-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, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,3S)-4,4-difluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 135376556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).