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

C17H18FN3O4S — CID 135376548

IUPAC3-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
SMILESCOc1nc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C3CC3)csc2cc1C(N)=O
InChIInChI=1S/C17H18FN3O4S/c1-24-17-8(15(19)22)4-11-14(21-17)10(6-26-11)25-5-9-12(7-2-3-7)13(18)16(23)20-9/h4,6-7,9,12-13H,2-3,5H2,1H3,(H2,19,22)(H,20,23)/t9-,12+,13-/m1/s1
InChIKeyIDKCWTVRKJKDGD-JIMOISOXSA-N
MW379.41 g/mol
LogP1.65
Rot. Bonds6

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

3-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide (PubChem CID 135376548) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is 3-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
PubChem CID135376548
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name3-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
SMILESCOc1nc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C3CC3)csc2cc1C(N)=O
InChIInChI=1S/C17H18FN3O4S/c1-24-17-8(15(19)22)4-11-14(21-17)10(6-26-11)25-5-9-12(7-2-3-7)13(18)16(23)20-9/h4,6-7,9,12-13H,2-3,5H2,1H3,(H2,19,22)(H,20,23)/t9-,12+,13-/m1/s1
InChIKeyIDKCWTVRKJKDGD-JIMOISOXSA-N
XLogP1.65
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 3-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide (CID 135376548) is 3-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-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]3C3CC3)csc2cc1C(N)=O.
What is the InChIKey of 3-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is IDKCWTVRKJKDGD-JIMOISOXSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-24-17-8(15(19)22)4-11-14(21-17)10(6-26-11)25-5-9-12(7-2-3-7)13(18)16(23)20-9/h4,6-7,9,12-13H,2-3,5H2,1H3,(H2,19,22)(H,20,23)/t9-,12+,13-/m1/s1.
What are the key properties of 3-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
3-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 135376548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).