N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine

C29H22N8O — CID 24855843

IUPACN-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)c4ccccc34)nc2)n1
InChIInChI=1S/C29H22N8O/c1-30-29-32-17-15-24(34-29)23-12-7-16-31-28(23)38-20-13-14-25(33-18-20)35-27-22-11-6-5-10-21(22)26(36-37-27)19-8-3-2-4-9-19/h2-18H,1H3,(H,30,32,34)(H,33,35,37)
InChIKeyRRGSLAHTTFNGBZ-UHFFFAOYSA-N
MW498.55 g/mol
LogP6.12
Rot. Bonds7

About N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine

N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine (PubChem CID 24855843) has the molecular formula C29H22N8O and a molecular weight of 498.55 g/mol. Its IUPAC name is N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine
PubChem CID24855843
Molecular FormulaC29H22N8O
Molecular Weight498.55 g/mol
Exact Mass498.19
IUPAC NameN-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)c4ccccc34)nc2)n1
InChIInChI=1S/C29H22N8O/c1-30-29-32-17-15-24(34-29)23-12-7-16-31-28(23)38-20-13-14-25(33-18-20)35-27-22-11-6-5-10-21(22)26(36-37-27)19-8-3-2-4-9-19/h2-18H,1H3,(H,30,32,34)(H,33,35,37)
InChIKeyRRGSLAHTTFNGBZ-UHFFFAOYSA-N
XLogP6.12
TPSA110.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.55
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine with MolForge

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Related Compounds

N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-amine
CID 66731455
3-[[4-[2-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-yl]amino]propanoic acid
CID 66731609
N-[4-[[3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-4-phenylphthalazin-1-amine
CID 66731895
N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-3-ylphthalazin-1-amine
CID 66731857
N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine
CID 58966971
3-[[4-[2-[[5-[(4-phenylphthalazin-1-yl)amino]-2-pyridinyl]oxy]-3-pyridinyl]pyrimidin-2-yl]amino]propan-1-ol
CID 66731419
4-cyclopropyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]isoquinolin-1-amine
CID 66731434
4-(4-ethylpiperazin-1-yl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine
CID 66731668
4-[2-[4-[4-(4-chlorothiophen-2-yl)phthalazin-1-yl]oxyphenoxy]-3-pyridinyl]-N-methylpyrimidin-2-amine
CID 58941005
4-[4-[2-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-yl]butyl dihydrogen phosphate;dihydrochloride
CID 160871684
N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine
CID 59427353
4-chloro-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine;N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-4-morpholin-4-ylphthalazin-1-amine
CID 161160670

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine?
The IUPAC name of N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine (CID 24855843) is N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine?
The canonical SMILES for N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine is CNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)c4ccccc34)nc2)n1.
What is the InChIKey of N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine?
The InChIKey is RRGSLAHTTFNGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N8O/c1-30-29-32-17-15-24(34-29)23-12-7-16-31-28(23)38-20-13-14-25(33-18-20)35-27-22-11-6-5-10-21(22)26(36-37-27)19-8-3-2-4-9-19/h2-18H,1H3,(H,30,32,34)(H,33,35,37).
What are the key properties of N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine?
N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine has a molecular weight of 498.55 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine is sourced from PubChem (CID 24855843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).