4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine

C30H22FN7O — CID 46929857

IUPAC4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccc(F)cc4)c4ccccc34)cc2)n1
InChIInChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
InChIKeyDZICJKNDYKNBTO-UHFFFAOYSA-N
MW515.55 g/mol
LogP6.87
Rot. Bonds7

About 4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine

4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine (PubChem CID 46929857) has the molecular formula C30H22FN7O and a molecular weight of 515.55 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine
PubChem CID46929857
Molecular FormulaC30H22FN7O
Molecular Weight515.55 g/mol
Exact Mass515.19
IUPAC Name4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccc(F)cc4)c4ccccc34)cc2)n1
InChIInChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
InChIKeyDZICJKNDYKNBTO-UHFFFAOYSA-N
XLogP6.87
TPSA97.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.55
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine (CID 46929857) is 4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine is CNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccc(F)cc4)c4ccccc34)cc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine?
The InChIKey is DZICJKNDYKNBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36).
What are the key properties of 4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine?
4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine has a molecular weight of 515.55 g/mol, XLogP of 6.87, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine is sourced from PubChem (CID 46929857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).