5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide

C18H20FN3O4S — CID 135376084

IUPAC5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1csc2cc(C(N)=O)c(OC3CC3)nc12
InChIInChI=1S/C18H20FN3O4S/c1-2-9-11(21-17(24)14(9)19)6-25-12-7-27-13-5-10(16(20)23)18(22-15(12)13)26-8-3-4-8/h5,7-9,11,14H,2-4,6H2,1H3,(H2,20,23)(H,21,24)/t9-,11+,14-/m0/s1
InChIKeyZQBJYNDCQLGOLV-PXWWUCIGSA-N
MW393.44 g/mol
LogP2.18
Rot. Bonds7

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

5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 135376084) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is 5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide
PubChem CID135376084
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC Name5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1csc2cc(C(N)=O)c(OC3CC3)nc12
InChIInChI=1S/C18H20FN3O4S/c1-2-9-11(21-17(24)14(9)19)6-25-12-7-27-13-5-10(16(20)23)18(22-15(12)13)26-8-3-4-8/h5,7-9,11,14H,2-4,6H2,1H3,(H2,20,23)(H,21,24)/t9-,11+,14-/m0/s1
InChIKeyZQBJYNDCQLGOLV-PXWWUCIGSA-N
XLogP2.18
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide (CID 135376084) is 5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide is CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1csc2cc(C(N)=O)c(OC3CC3)nc12.
What is the InChIKey of 5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is ZQBJYNDCQLGOLV-PXWWUCIGSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-2-9-11(21-17(24)14(9)19)6-25-12-7-27-13-5-10(16(20)23)18(22-15(12)13)26-8-3-4-8/h5,7-9,11,14H,2-4,6H2,1H3,(H2,20,23)(H,21,24)/t9-,11+,14-/m0/s1.
What are the key properties of 5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide?
5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyloxy-3-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 135376084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).