N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine

C20H15FN4 — CID 53298155

IUPACN-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
SMILESFc1ccc(Nc2nnc(Cc3cccnc3)c3ccccc23)cc1
InChIInChI=1S/C20H15FN4/c21-15-7-9-16(10-8-15)23-20-18-6-2-1-5-17(18)19(24-25-20)12-14-4-3-11-22-13-14/h1-11,13H,12H2,(H,23,25)
InChIKeyCCHOEXYXYNTCQA-UHFFFAOYSA-N
MW330.37 g/mol
LogP4.50
Rot. Bonds4

About N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine

N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine (PubChem CID 53298155) has the molecular formula C20H15FN4 and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
PubChem CID53298155
Molecular FormulaC20H15FN4
Molecular Weight330.37 g/mol
Exact Mass330.13
IUPAC NameN-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
SMILESFc1ccc(Nc2nnc(Cc3cccnc3)c3ccccc23)cc1
InChIInChI=1S/C20H15FN4/c21-15-7-9-16(10-8-15)23-20-18-6-2-1-5-17(18)19(24-25-20)12-14-4-3-11-22-13-14/h1-11,13H,12H2,(H,23,25)
InChIKeyCCHOEXYXYNTCQA-UHFFFAOYSA-N
XLogP4.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 122175740
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane
CID 159919598
N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide
CID 22741957
N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane
CID 91595451
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methanesulfonic acid
CID 71584923
N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 20875720
1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine
CID 20875708
4-(pyridin-3-ylmethyl)-2H-phthalazine-1-thione
CID 106521317
N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
CID 113447071
azanium;N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;pentanedioic acid
CID 15604672
1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine
CID 6412969
N-[3,4-bis(trifluoromethyl)phenyl]-4-[(6-methoxy-3-pyridinyl)methyl]phthalazin-1-amine
CID 10205923

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine (CID 53298155) is N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine is Fc1ccc(Nc2nnc(Cc3cccnc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
The InChIKey is CCHOEXYXYNTCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4/c21-15-7-9-16(10-8-15)23-20-18-6-2-1-5-17(18)19(24-25-20)12-14-4-3-11-22-13-14/h1-11,13H,12H2,(H,23,25).
What are the key properties of N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine has a molecular weight of 330.37 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 53298155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).