1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine

C24H23N5 — CID 2951746

IUPAC1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine
SMILESCc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1
InChIInChI=1S/C24H23N5/c1-18-9-11-19(12-10-18)23-20-6-2-3-7-21(20)24(27-26-23)29-16-14-28(15-17-29)22-8-4-5-13-25-22/h2-13H,14-17H2,1H3
InChIKeyYNMMVRIQKYUNQT-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.33
Rot. Bonds3

About 1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine

1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine (PubChem CID 2951746) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine
PubChem CID2951746
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine
SMILESCc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1
InChIInChI=1S/C24H23N5/c1-18-9-11-19(12-10-18)23-20-6-2-3-7-21(20)24(27-26-23)29-16-14-28(15-17-29)22-8-4-5-13-25-22/h2-13H,14-17H2,1H3
InChIKeyYNMMVRIQKYUNQT-UHFFFAOYSA-N
XLogP4.33
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Mw-150
CID 86270361
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
Tt-301
CID 54576073
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine
CID 4369379
6-[(2r)-4-(4-Benzyl-7-Chlorophthalazin-1-Yl)-2-Methylpiperazin-1-Yl]pyridine-3-Carbonitrile
CID 73729049
Pyridazino(4,3-c)isoquinolin-6-amine, N,N-dimethyl-3-phenyl-
CID 13526624
Pyridazino(4,3-c)isoquinoline, 6-(ethylmethylamino)-3-phenyl-
CID 13526625
N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 6419386
1-(3-Methylanilino)-4-(4-pyridylmethyl)phthalazine
CID 6419387
N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 6419388
N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 6419389

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine?
The IUPAC name of 1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine (CID 2951746) is 1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine.
What is the SMILES notation for 1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine?
The canonical SMILES for 1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine is Cc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine?
The InChIKey is YNMMVRIQKYUNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-18-9-11-19(12-10-18)23-20-6-2-3-7-21(20)24(27-26-23)29-16-14-28(15-17-29)22-8-4-5-13-25-22/h2-13H,14-17H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine?
1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine has a molecular weight of 381.48 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine is sourced from PubChem (CID 2951746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).