N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine

C28H20N8O — CID 66732076

IUPACN-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine
SMILESNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccn4)c4ccccc34)cc2)n1
InChIInChI=1S/C28H20N8O/c29-28-32-17-14-23(34-28)22-8-5-16-31-27(22)37-19-12-10-18(11-13-19)33-26-21-7-2-1-6-20(21)25(35-36-26)24-9-3-4-15-30-24/h1-17H,(H,33,36)(H2,29,32,34)
InChIKeyDKTVYMQVOQZPIC-UHFFFAOYSA-N
MW484.52 g/mol
LogP5.66
Rot. Bonds6

About N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine

N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine (PubChem CID 66732076) has the molecular formula C28H20N8O and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine.

Molecular Properties

Compound NameN-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine
PubChem CID66732076
Molecular FormulaC28H20N8O
Molecular Weight484.52 g/mol
Exact Mass484.18
IUPAC NameN-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine
SMILESNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccn4)c4ccccc34)cc2)n1
InChIInChI=1S/C28H20N8O/c29-28-32-17-14-23(34-28)22-8-5-16-31-27(22)37-19-12-10-18(11-13-19)33-26-21-7-2-1-6-20(21)25(35-36-26)24-9-3-4-15-30-24/h1-17H,(H,33,36)(H2,29,32,34)
InChIKeyDKTVYMQVOQZPIC-UHFFFAOYSA-N
XLogP5.66
TPSA124.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine with MolForge

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Related Compounds

[6-[4-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]phthalazin-1-yl]-2-pyridinyl]methanol
CID 66731422
N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-3-ylphthalazin-1-amine
CID 66731857
N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine
CID 66732204
N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine
CID 66732070
N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-fluoro-5-methoxyphenyl)phthalazin-1-amine
CID 66731500
3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid
CID 66731501
3-[[4-[2-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-yl]amino]propanoic acid
CID 66731609
N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine
CID 16663282
N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine
CID 66732027
4-[4-[2-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-yl]butyl dihydrogen phosphate;dihydrochloride
CID 160871684
N-[4-[[3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-4-phenylphthalazin-1-amine
CID 66731895
4-(4-methylthiophen-2-yl)-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]phthalazin-1-amine
CID 66731550

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine?
The IUPAC name of N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine (CID 66732076) is N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine.
What is the SMILES notation for N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine?
The canonical SMILES for N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine is Nc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccn4)c4ccccc34)cc2)n1.
What is the InChIKey of N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine?
The InChIKey is DKTVYMQVOQZPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N8O/c29-28-32-17-14-23(34-28)22-8-5-16-31-27(22)37-19-12-10-18(11-13-19)33-26-21-7-2-1-6-20(21)25(35-36-26)24-9-3-4-15-30-24/h1-17H,(H,33,36)(H2,29,32,34).
What are the key properties of N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine?
N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine has a molecular weight of 484.52 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine is sourced from PubChem (CID 66732076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).