1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine

C25H25N5 — CID 123615357

IUPAC1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine
SMILESCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1
InChIInChI=1S/C25H25N5/c1-19-11-12-24(26-18-19)29-13-15-30(16-14-29)25-22-10-6-5-9-21(22)23(27-28-25)17-20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3
InChIKeyWLWHRQXSLIVYJO-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.25
Rot. Bonds4

About 1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine

1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine (PubChem CID 123615357) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine.

Molecular Properties

Compound Name1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine
PubChem CID123615357
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine
SMILESCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1
InChIInChI=1S/C25H25N5/c1-19-11-12-24(26-18-19)29-13-15-30(16-14-29)25-22-10-6-5-9-21(22)23(27-28-25)17-20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3
InChIKeyWLWHRQXSLIVYJO-UHFFFAOYSA-N
XLogP4.25
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-3-pyridinyl]-dimethylphosphane
CID 135268406
1-benzyl-4-[4-(5-dimethylphosphoryl-2-pyridinyl)piperazin-1-yl]phthalazine
CID 59240660
1-benzyl-4-[4-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]piperazin-1-yl]phthalazine
CID 59240598
2-[5-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 59240671
6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 25065476
N-[[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-3-pyridinyl]methyl]-3-hydroxybutanamide
CID 59240639
6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide
CID 25065065
methyl 2-[[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carbonyl]amino]acetate
CID 25065892
[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone
CID 25065682
1-benzyl-4-[(3R)-3-methyl-4-(4-methylphenyl)piperazin-1-yl]phthalazine
CID 137497160
6-[4-[4-[(4-bromophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 25065897
1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine
CID 25065067

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine?
The IUPAC name of 1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine (CID 123615357) is 1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine.
What is the SMILES notation for 1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine?
The canonical SMILES for 1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine is Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1.
What is the InChIKey of 1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine?
The InChIKey is WLWHRQXSLIVYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-19-11-12-24(26-18-19)29-13-15-30(16-14-29)25-22-10-6-5-9-21(22)23(27-28-25)17-20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3.
What are the key properties of 1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine?
1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine has a molecular weight of 395.51 g/mol, XLogP of 4.25, 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-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine is sourced from PubChem (CID 123615357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).