N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine

C28H20N6O2 — CID 59427353

IUPACN-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine
SMILESCOc1cnc2c(Oc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)nc3)ccnc2c1
InChIInChI=1S/C28H20N6O2/c1-35-20-15-23-27(31-17-20)24(13-14-29-23)36-19-11-12-25(30-16-19)32-28-22-10-6-5-9-21(22)26(33-34-28)18-7-3-2-4-8-18/h2-17H,1H3,(H,30,32,34)
InChIKeySMJFIMRKIUXZIW-UHFFFAOYSA-N
MW472.51 g/mol
LogP6.18
Rot. Bonds6

About N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine

N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine (PubChem CID 59427353) has the molecular formula C28H20N6O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine
PubChem CID59427353
Molecular FormulaC28H20N6O2
Molecular Weight472.51 g/mol
Exact Mass472.16
IUPAC NameN-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine
SMILESCOc1cnc2c(Oc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)nc3)ccnc2c1
InChIInChI=1S/C28H20N6O2/c1-35-20-15-23-27(31-17-20)24(13-14-29-23)36-19-11-12-25(30-16-19)32-28-22-10-6-5-9-21(22)26(33-34-28)18-7-3-2-4-8-18/h2-17H,1H3,(H,30,32,34)
InChIKeySMJFIMRKIUXZIW-UHFFFAOYSA-N
XLogP6.18
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.51
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine?
The IUPAC name of N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine (CID 59427353) is N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine?
The canonical SMILES for N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine is COc1cnc2c(Oc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)nc3)ccnc2c1.
What is the InChIKey of N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine?
The InChIKey is SMJFIMRKIUXZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N6O2/c1-35-20-15-23-27(31-17-20)24(13-14-29-23)36-19-11-12-25(30-16-19)32-28-22-10-6-5-9-21(22)26(33-34-28)18-7-3-2-4-8-18/h2-17H,1H3,(H,30,32,34).
What are the key properties of N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine?
N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine has a molecular weight of 472.51 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine is sourced from PubChem (CID 59427353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).