[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone

C29H29FN6O — CID 42691070

IUPAC[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C29H29FN6O/c30-22-10-12-24(13-11-22)34-14-18-35(19-15-34)28-26-9-5-4-8-25(26)27(31-32-28)29(37)36-20-16-33(17-21-36)23-6-2-1-3-7-23/h1-13H,14-21H2
InChIKeyJILCJAJZHQDZKA-UHFFFAOYSA-N
MW496.59 g/mol
LogP4.06
Rot. Bonds4

About [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone

[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 42691070) has the molecular formula C29H29FN6O and a molecular weight of 496.59 g/mol. Its IUPAC name is [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID42691070
Molecular FormulaC29H29FN6O
Molecular Weight496.59 g/mol
Exact Mass496.24
IUPAC Name[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C29H29FN6O/c30-22-10-12-24(13-11-22)34-14-18-35(19-15-34)28-26-9-5-4-8-25(26)27(31-32-28)29(37)36-20-16-33(17-21-36)23-6-2-1-3-7-23/h1-13H,14-21H2
InChIKeyJILCJAJZHQDZKA-UHFFFAOYSA-N
XLogP4.06
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone
CID 42691066
[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42878392
N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42691033
N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42691065
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78781351
[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42690942
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 42691138
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174457
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 42878379
[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42878282
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone (CID 42691070) is [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is JILCJAJZHQDZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O/c30-22-10-12-24(13-11-22)34-14-18-35(19-15-34)28-26-9-5-4-8-25(26)27(31-32-28)29(37)36-20-16-33(17-21-36)23-6-2-1-3-7-23/h1-13H,14-21H2.
What are the key properties of [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone?
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 496.59 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 42691070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).