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

C24H23N5 — CID 18526613

IUPAC1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine
SMILESc1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1
InChIInChI=1S/C24H23N5/c1-2-8-19(9-3-1)18-22-20-10-4-5-11-21(20)24(27-26-22)29-16-14-28(15-17-29)23-12-6-7-13-25-23/h1-13H,14-18H2
InChIKeyFCTUWPXBMWNCFN-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.94
Rot. Bonds4

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

1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine (PubChem CID 18526613) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine.

Molecular Properties

Compound Name1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine
PubChem CID18526613
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine
SMILESc1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1
InChIInChI=1S/C24H23N5/c1-2-8-19(9-3-1)18-22-20-10-4-5-11-21(20)24(27-26-22)29-16-14-28(15-17-29)23-12-6-7-13-25-23/h1-13H,14-18H2
InChIKeyFCTUWPXBMWNCFN-UHFFFAOYSA-N
XLogP3.94
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine?
The IUPAC name of 1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine (CID 18526613) is 1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine.
What is the SMILES notation for 1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine?
The canonical SMILES for 1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine is c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1.
What is the InChIKey of 1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine?
The InChIKey is FCTUWPXBMWNCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-2-8-19(9-3-1)18-22-20-10-4-5-11-21(20)24(27-26-22)29-16-14-28(15-17-29)23-12-6-7-13-25-23/h1-13H,14-18H2.
What are the key properties of 1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine?
1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine has a molecular weight of 381.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine is sourced from PubChem (CID 18526613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).