4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide

C28H28FN5O — CID 42878379

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2nnc(N3CCN(c4ccc(F)cc4)CC3)c3ccccc23)cc1
InChIInChI=1S/C28H28FN5O/c1-19(2)20-7-11-22(12-8-20)30-28(35)26-24-5-3-4-6-25(24)27(32-31-26)34-17-15-33(16-18-34)23-13-9-21(29)10-14-23/h3-14,19H,15-18H2,1-2H3,(H,30,35)
InChIKeyFQOYSZOXWWUCLX-UHFFFAOYSA-N
MW469.56 g/mol
LogP5.47
Rot. Bonds5

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide

4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide (PubChem CID 42878379) has the molecular formula C28H28FN5O and a molecular weight of 469.56 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide
PubChem CID42878379
Molecular FormulaC28H28FN5O
Molecular Weight469.56 g/mol
Exact Mass469.23
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2nnc(N3CCN(c4ccc(F)cc4)CC3)c3ccccc23)cc1
InChIInChI=1S/C28H28FN5O/c1-19(2)20-7-11-22(12-8-20)30-28(35)26-24-5-3-4-6-25(24)27(32-31-26)34-17-15-33(16-18-34)23-13-9-21(29)10-14-23/h3-14,19H,15-18H2,1-2H3,(H,30,35)
InChIKeyFQOYSZOXWWUCLX-UHFFFAOYSA-N
XLogP5.47
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42691033
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)phthalazine-1-carboxamide
CID 42878384
N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42691065
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide
CID 42878251
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42691070
N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 9151696
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone
CID 42691066
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6978065
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide
CID 46360377
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide
CID 42690680

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide (CID 42878379) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide is CC(C)c1ccc(NC(=O)c2nnc(N3CCN(c4ccc(F)cc4)CC3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide?
The InChIKey is FQOYSZOXWWUCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O/c1-19(2)20-7-11-22(12-8-20)30-28(35)26-24-5-3-4-6-25(24)27(32-31-26)34-17-15-33(16-18-34)23-13-9-21(29)10-14-23/h3-14,19H,15-18H2,1-2H3,(H,30,35).
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide?
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide is sourced from PubChem (CID 42878379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).