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

C15H16FN3O4S — CID 135376133

IUPAC3-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
SMILESCOc1nc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)csc2cc1C(N)=O
InChIInChI=1S/C15H16FN3O4S/c1-6-8(18-14(21)11(6)16)4-23-9-5-24-10-3-7(13(17)20)15(22-2)19-12(9)10/h3,5-6,8,11H,4H2,1-2H3,(H2,17,20)(H,18,21)/t6-,8+,11-/m0/s1
InChIKeyOMGRBHVIMQPNQG-QXHCQDJKSA-N
MW353.38 g/mol
LogP1.26
Rot. Bonds5

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

3-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide (PubChem CID 135376133) has the molecular formula C15H16FN3O4S and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
PubChem CID135376133
Molecular FormulaC15H16FN3O4S
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC Name3-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
SMILESCOc1nc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)csc2cc1C(N)=O
InChIInChI=1S/C15H16FN3O4S/c1-6-8(18-14(21)11(6)16)4-23-9-5-24-10-3-7(13(17)20)15(22-2)19-12(9)10/h3,5-6,8,11H,4H2,1-2H3,(H2,17,20)(H,18,21)/t6-,8+,11-/m0/s1
InChIKeyOMGRBHVIMQPNQG-QXHCQDJKSA-N
XLogP1.26
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 3-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide (CID 135376133) is 3-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide is COc1nc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)csc2cc1C(N)=O.
What is the InChIKey of 3-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is OMGRBHVIMQPNQG-QXHCQDJKSA-N. The full InChI is InChI=1S/C15H16FN3O4S/c1-6-8(18-14(21)11(6)16)4-23-9-5-24-10-3-7(13(17)20)15(22-2)19-12(9)10/h3,5-6,8,11H,4H2,1-2H3,(H2,17,20)(H,18,21)/t6-,8+,11-/m0/s1.
What are the key properties of 3-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
3-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 135376133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).