N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine

C29H20FN5O2 — CID 25096885

IUPACN-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine
SMILESCOc1cnc2c(Oc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)cc3F)ccnc2c1
InChIInChI=1S/C29H20FN5O2/c1-36-20-16-24-28(32-17-20)26(13-14-31-24)37-25-12-11-19(15-23(25)30)33-29-22-10-6-5-9-21(22)27(34-35-29)18-7-3-2-4-8-18/h2-17H,1H3,(H,33,35)
InChIKeyAVZXFRYHGWKMBT-UHFFFAOYSA-N
MW489.51 g/mol
LogP6.92
Rot. Bonds6

About N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine

N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine (PubChem CID 25096885) has the molecular formula C29H20FN5O2 and a molecular weight of 489.51 g/mol. Its IUPAC name is N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine
PubChem CID25096885
Molecular FormulaC29H20FN5O2
Molecular Weight489.51 g/mol
Exact Mass489.16
IUPAC NameN-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine
SMILESCOc1cnc2c(Oc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)cc3F)ccnc2c1
InChIInChI=1S/C29H20FN5O2/c1-36-20-16-24-28(32-17-20)26(13-14-31-24)37-25-12-11-19(15-23(25)30)33-29-22-10-6-5-9-21(22)27(34-35-29)18-7-3-2-4-8-18/h2-17H,1H3,(H,33,35)
InChIKeyAVZXFRYHGWKMBT-UHFFFAOYSA-N
XLogP6.92
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.51
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine?
The IUPAC name of N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine (CID 25096885) is N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine?
The canonical SMILES for N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine is COc1cnc2c(Oc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)cc3F)ccnc2c1.
What is the InChIKey of N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine?
The InChIKey is AVZXFRYHGWKMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN5O2/c1-36-20-16-24-28(32-17-20)26(13-14-31-24)37-25-12-11-19(15-23(25)30)33-29-22-10-6-5-9-21(22)27(34-35-29)18-7-3-2-4-8-18/h2-17H,1H3,(H,33,35).
What are the key properties of N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine?
N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine has a molecular weight of 489.51 g/mol, XLogP of 6.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-phenylphthalazin-1-amine is sourced from PubChem (CID 25096885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).