[4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine

C56H55ClN12O2 — CID 160562728

IUPAC[4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine
SMILESO=C(c1ccccc1)N1CCN(c2cc(Cl)nnc2-c2ccccc2)CC1.O=C(c1ccccc1)N1CCN(c2ccnnc2-c2ccccc2)CC1.c1ccc(-c2nnccc2N2CCNCC2)cc1
InChIInChI=1S/C21H19ClN4O.C21H20N4O.C14H16N4/c22-19-15-18(20(24-23-19)16-7-3-1-4-8-16)25-11-13-26(14-12-25)21(27)17-9-5-2-6-10-17;26-21(18-9-5-2-6-10-18)25-15-13-24(14-16-25)19-11-12-22-23-20(19)17-7-3-1-4-8-17;1-2-4-12(5-3-1)14-13(6-7-16-17-14)18-10-8-15-9-11-18/h1-10,15H,11-14H2;1-12H,13-16H2;1-7,15H,8-11H2
InChIKeyQZNIOFBFEUBTAB-UHFFFAOYSA-N
MW963.59 g/mol
LogP8.42
Rot. Bonds8

About [4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine

[4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine (PubChem CID 160562728) has the molecular formula C56H55ClN12O2 and a molecular weight of 963.59 g/mol. Its IUPAC name is [4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine.

Molecular Properties

Compound Name[4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine
PubChem CID160562728
Molecular FormulaC56H55ClN12O2
Molecular Weight963.59 g/mol
Exact Mass962.43
IUPAC Name[4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine
SMILESO=C(c1ccccc1)N1CCN(c2cc(Cl)nnc2-c2ccccc2)CC1.O=C(c1ccccc1)N1CCN(c2ccnnc2-c2ccccc2)CC1.c1ccc(-c2nnccc2N2CCNCC2)cc1
InChIInChI=1S/C21H19ClN4O.C21H20N4O.C14H16N4/c22-19-15-18(20(24-23-19)16-7-3-1-4-8-16)25-11-13-26(14-12-25)21(27)17-9-5-2-6-10-17;26-21(18-9-5-2-6-10-18)25-15-13-24(14-16-25)19-11-12-22-23-20(19)17-7-3-1-4-8-17;1-2-4-12(5-3-1)14-13(6-7-16-17-14)18-10-8-15-9-11-18/h1-10,15H,11-14H2;1-12H,13-16H2;1-7,15H,8-11H2
InChIKeyQZNIOFBFEUBTAB-UHFFFAOYSA-N
XLogP8.42
TPSA139.71 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500963.59
LogP ≤ 58.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze [4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine with MolForge

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Related Compounds

[4-(4-amino-2-chlorophenyl)piperazin-1-yl]-phenylmethanone
CID 805199
[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
CID 31537716
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 57389219
4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine
CID 139438505
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide
CID 141154526
[4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
CID 46891105
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 23740446
2-phenyl-6-(2-piperazin-1-ylphenyl)benzamide
CID 69412038

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine?
The IUPAC name of [4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine (CID 160562728) is [4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine.
What is the SMILES notation for [4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine?
The canonical SMILES for [4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine is O=C(c1ccccc1)N1CCN(c2cc(Cl)nnc2-c2ccccc2)CC1.O=C(c1ccccc1)N1CCN(c2ccnnc2-c2ccccc2)CC1.c1ccc(-c2nnccc2N2CCNCC2)cc1.
What is the InChIKey of [4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine?
The InChIKey is QZNIOFBFEUBTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O.C21H20N4O.C14H16N4/c22-19-15-18(20(24-23-19)16-7-3-1-4-8-16)25-11-13-26(14-12-25)21(27)17-9-5-2-6-10-17;26-21(18-9-5-2-6-10-18)25-15-13-24(14-16-25)19-11-12-22-23-20(19)17-7-3-1-4-8-17;1-2-4-12(5-3-1)14-13(6-7-16-17-14)18-10-8-15-9-11-18/h1-10,15H,11-14H2;1-12H,13-16H2;1-7,15H,8-11H2.
What are the key properties of [4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine?
[4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine has a molecular weight of 963.59 g/mol, XLogP of 8.42, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-3-phenylpyridazin-4-yl)piperazin-1-yl]-phenylmethanone;phenyl-[4-(3-phenylpyridazin-4-yl)piperazin-1-yl]methanone;3-phenyl-4-piperazin-1-ylpyridazine is sourced from PubChem (CID 160562728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).