2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol

C24H18FN5O2 — CID 56592374

IUPAC2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol
SMILESNc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cnc(OCCO)c12
InChIInChI=1S/C24H18FN5O2/c25-19-6-2-1-4-16(19)20-12-17(15-5-3-8-28-23(15)30-20)18-13-29-24(32-11-10-31)21-14(18)7-9-27-22(21)26/h1-9,12-13,31H,10-11H2,(H2,26,27)
InChIKeyUSQCBPMTGBDHBO-UHFFFAOYSA-N
MW427.44 g/mol
LogP4.00
Rot. Bonds5

About 2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol

2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol (PubChem CID 56592374) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is 2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol
PubChem CID56592374
Molecular FormulaC24H18FN5O2
Molecular Weight427.44 g/mol
Exact Mass427.14
IUPAC Name2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol
SMILESNc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cnc(OCCO)c12
InChIInChI=1S/C24H18FN5O2/c25-19-6-2-1-4-16(19)20-12-17(15-5-3-8-28-23(15)30-20)18-13-29-24(32-11-10-31)21-14(18)7-9-27-22(21)26/h1-9,12-13,31H,10-11H2,(H2,26,27)
InChIKeyUSQCBPMTGBDHBO-UHFFFAOYSA-N
XLogP4.00
TPSA107.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol?
The IUPAC name of 2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol (CID 56592374) is 2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol.
What is the SMILES notation for 2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol?
The canonical SMILES for 2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol is Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cnc(OCCO)c12.
What is the InChIKey of 2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol?
The InChIKey is USQCBPMTGBDHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2/c25-19-6-2-1-4-16(19)20-12-17(15-5-3-8-28-23(15)30-20)18-13-29-24(32-11-10-31)21-14(18)7-9-27-22(21)26/h1-9,12-13,31H,10-11H2,(H2,26,27).
What are the key properties of 2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol?
2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol has a molecular weight of 427.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol is sourced from PubChem (CID 56592374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).