1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile

C21H11FN6O — CID 154657729

IUPAC1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncc(F)cc3c2)c1
InChIInChI=1S/C21H11FN6O/c22-15-6-14-5-13(1-2-18(14)25-10-15)16-7-17-19(29)3-4-24-20(17)27-21(16)28-11-12(8-23)9-26-28/h1-7,9-11H,(H,24,27,29)
InChIKeyCIUVDWYAVIYPPJ-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.33
Rot. Bonds2

About 1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile

1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile (PubChem CID 154657729) has the molecular formula C21H11FN6O and a molecular weight of 382.36 g/mol. Its IUPAC name is 1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile
PubChem CID154657729
Molecular FormulaC21H11FN6O
Molecular Weight382.36 g/mol
Exact Mass382.10
IUPAC Name1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncc(F)cc3c2)c1
InChIInChI=1S/C21H11FN6O/c22-15-6-14-5-13(1-2-18(14)25-10-15)16-7-17-19(29)3-4-24-20(17)27-21(16)28-11-12(8-23)9-26-28/h1-7,9-11H,(H,24,27,29)
InChIKeyCIUVDWYAVIYPPJ-UHFFFAOYSA-N
XLogP3.33
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile (CID 154657729) is 1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile is N#Cc1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncc(F)cc3c2)c1.
What is the InChIKey of 1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile?
The InChIKey is CIUVDWYAVIYPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11FN6O/c22-15-6-14-5-13(1-2-18(14)25-10-15)16-7-17-19(29)3-4-24-20(17)27-21(16)28-11-12(8-23)9-26-28/h1-7,9-11H,(H,24,27,29).
What are the key properties of 1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile?
1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile has a molecular weight of 382.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 154657729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).