1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine

C24H22ClN5 — CID 20875710

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine
SMILESClc1cccc(N2CCN(c3nnc(Cc4cccnc4)c4ccccc34)CC2)c1
InChIInChI=1S/C24H22ClN5/c25-19-6-3-7-20(16-19)29-11-13-30(14-12-29)24-22-9-2-1-8-21(22)23(27-28-24)15-18-5-4-10-26-17-18/h1-10,16-17H,11-15H2
InChIKeyNBHVIZDMCCMLJI-UHFFFAOYSA-N
MW415.93 g/mol
LogP4.60
Rot. Bonds4

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine

1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine (PubChem CID 20875710) has the molecular formula C24H22ClN5 and a molecular weight of 415.93 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine
PubChem CID20875710
Molecular FormulaC24H22ClN5
Molecular Weight415.93 g/mol
Exact Mass415.16
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine
SMILESClc1cccc(N2CCN(c3nnc(Cc4cccnc4)c4ccccc34)CC2)c1
InChIInChI=1S/C24H22ClN5/c25-19-6-3-7-20(16-19)29-11-13-30(14-12-29)24-22-9-2-1-8-21(22)23(27-28-24)15-18-5-4-10-26-17-18/h1-10,16-17H,11-15H2
InChIKeyNBHVIZDMCCMLJI-UHFFFAOYSA-N
XLogP4.60
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine
CID 20875708
1-(pyridin-4-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]phthalazine
CID 20875744
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 71704556
4-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]benzoic acid
CID 25066931
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 42690916
1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine
CID 20875729
[4-[4-(3-chlorophenyl)piperazin-1-yl]isoquinolin-1-yl]methanamine
CID 134091277
4-(3-chlorophenyl)-N'-methyl-N-(2-pyridin-3-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111186842
1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine
CID 25065067
4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 79910450
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide
CID 42690921
1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine
CID 15124641

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine (CID 20875710) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine is Clc1cccc(N2CCN(c3nnc(Cc4cccnc4)c4ccccc34)CC2)c1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine?
The InChIKey is NBHVIZDMCCMLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5/c25-19-6-3-7-20(16-19)29-11-13-30(14-12-29)24-22-9-2-1-8-21(22)23(27-28-24)15-18-5-4-10-26-17-18/h1-10,16-17H,11-15H2.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine?
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine has a molecular weight of 415.93 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine is sourced from PubChem (CID 20875710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).