3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one

C23H25ClN6O — CID 122351435

IUPAC3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCc1ccc(Nc2ccc(N3CCN(C(=O)CCc4cccc(Cl)c4)CC3)nn2)nc1
InChIInChI=1S/C23H25ClN6O/c1-17-5-7-20(25-16-17)26-21-8-9-22(28-27-21)29-11-13-30(14-12-29)23(31)10-6-18-3-2-4-19(24)15-18/h2-5,7-9,15-16H,6,10-14H2,1H3,(H,25,26,27)
InChIKeyYWTNCKSXKDMWHQ-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.86
Rot. Bonds6

About 3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one

3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 122351435) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID122351435
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCc1ccc(Nc2ccc(N3CCN(C(=O)CCc4cccc(Cl)c4)CC3)nn2)nc1
InChIInChI=1S/C23H25ClN6O/c1-17-5-7-20(25-16-17)26-21-8-9-22(28-27-21)29-11-13-30(14-12-29)23(31)10-6-18-3-2-4-19(24)15-18/h2-5,7-9,15-16H,6,10-14H2,1H3,(H,25,26,27)
InChIKeyYWTNCKSXKDMWHQ-UHFFFAOYSA-N
XLogP3.86
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122347171
1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 70702484
3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
CID 122326910
3-(3-chlorophenyl)-1-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122348742
3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 56699361
N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 56919468
1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 122351296
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 70702478
(2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 56919528
(2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 70702741
(2-methylphenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 56919498
3-(3-methylphenyl)-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 122341628

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 122351435) is 3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one is Cc1ccc(Nc2ccc(N3CCN(C(=O)CCc4cccc(Cl)c4)CC3)nn2)nc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is YWTNCKSXKDMWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-17-5-7-20(25-16-17)26-21-8-9-22(28-27-21)29-11-13-30(14-12-29)23(31)10-6-18-3-2-4-19(24)15-18/h2-5,7-9,15-16H,6,10-14H2,1H3,(H,25,26,27).
What are the key properties of 3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one?
3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 436.95 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 122351435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).