8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile

C17H17FN4O3 — CID 139386226

IUPAC8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile
SMILESCC[C@H]1C(COc2nccc3cc(C#N)c(OC)nc23)NC(=O)[C@H]1F
InChIInChI=1S/C17H17FN4O3/c1-3-11-12(21-15(23)13(11)18)8-25-17-14-9(4-5-20-17)6-10(7-19)16(22-14)24-2/h4-6,11-13H,3,8H2,1-2H3,(H,21,23)/t11-,12?,13-/m0/s1
InChIKeyCYCAPNWEGZBEHA-RXTYADHFSA-N
MW344.35 g/mol
LogP1.75
Rot. Bonds5

About 8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile

8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile (PubChem CID 139386226) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile
PubChem CID139386226
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile
SMILESCC[C@H]1C(COc2nccc3cc(C#N)c(OC)nc23)NC(=O)[C@H]1F
InChIInChI=1S/C17H17FN4O3/c1-3-11-12(21-15(23)13(11)18)8-25-17-14-9(4-5-20-17)6-10(7-19)16(22-14)24-2/h4-6,11-13H,3,8H2,1-2H3,(H,21,23)/t11-,12?,13-/m0/s1
InChIKeyCYCAPNWEGZBEHA-RXTYADHFSA-N
XLogP1.75
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile (CID 139386226) is 8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile is CC[C@H]1C(COc2nccc3cc(C#N)c(OC)nc23)NC(=O)[C@H]1F.
What is the InChIKey of 8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile?
The InChIKey is CYCAPNWEGZBEHA-RXTYADHFSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-3-11-12(21-15(23)13(11)18)8-25-17-14-9(4-5-20-17)6-10(7-19)16(22-14)24-2/h4-6,11-13H,3,8H2,1-2H3,(H,21,23)/t11-,12?,13-/m0/s1.
What are the key properties of 8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile?
8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile has a molecular weight of 344.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 139386226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).