1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone

C23H26N6O2 — CID 122347176

IUPAC1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
SMILESCc1cccc(Nc2ccc(N3CCN(C(=O)COCc4ccccc4)CC3)nn2)n1
InChIInChI=1S/C23H26N6O2/c1-18-6-5-9-20(24-18)25-21-10-11-22(27-26-21)28-12-14-29(15-13-28)23(30)17-31-16-19-7-3-2-4-8-19/h2-11H,12-17H2,1H3,(H,24,25,26)
InChIKeyHHKXPWWEYFKYPB-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.79
Rot. Bonds7

About 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone

1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone (PubChem CID 122347176) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
PubChem CID122347176
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
SMILESCc1cccc(Nc2ccc(N3CCN(C(=O)COCc4ccccc4)CC3)nn2)n1
InChIInChI=1S/C23H26N6O2/c1-18-6-5-9-20(24-18)25-21-10-11-22(27-26-21)28-12-14-29(15-13-28)23(30)17-31-16-19-7-3-2-4-8-19/h2-11H,12-17H2,1H3,(H,24,25,26)
InChIKeyHHKXPWWEYFKYPB-UHFFFAOYSA-N
XLogP2.79
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone with MolForge

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Related Compounds

1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122350830
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 42111751
1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122336438
3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122347171
2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347159
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122347092
(4-methoxyphenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 50947588
1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122347231
6-methyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122347229
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122347093
N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 47001164
5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122347190

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone (CID 122347176) is 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone is Cc1cccc(Nc2ccc(N3CCN(C(=O)COCc4ccccc4)CC3)nn2)n1.
What is the InChIKey of 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is HHKXPWWEYFKYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-18-6-5-9-20(24-18)25-21-10-11-22(27-26-21)28-12-14-29(15-13-28)23(30)17-31-16-19-7-3-2-4-8-19/h2-11H,12-17H2,1H3,(H,24,25,26).
What are the key properties of 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone?
1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 418.50 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 122347176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).