[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone

C22H23N5O — CID 7178151

IUPAC[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESCc1ccc(Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C22H23N5O/c1-17-7-9-19(10-8-17)23-20-11-12-21(25-24-20)26-13-15-27(16-14-26)22(28)18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,23,24)
InChIKeyANFLHEHAPYPUIA-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.49
Rot. Bonds4

About [4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone

[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 7178151) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
PubChem CID7178151
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESCc1ccc(Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C22H23N5O/c1-17-7-9-19(10-8-17)23-20-11-12-21(25-24-20)26-13-15-27(16-14-26)22(28)18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,23,24)
InChIKeyANFLHEHAPYPUIA-UHFFFAOYSA-N
XLogP3.49
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 70702478
[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-(4-nitrophenyl)methanone
CID 7178179
furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 7178192
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 42111751
pyridin-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347828
1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 7178098
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
pyridin-4-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347569
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 7178188
[3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347910
1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one
CID 7178105

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone (CID 7178151) is [4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone is Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)nn2)cc1.
What is the InChIKey of [4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is ANFLHEHAPYPUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-17-7-9-19(10-8-17)23-20-11-12-21(25-24-20)26-13-15-27(16-14-26)22(28)18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,23,24).
What are the key properties of [4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone?
[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 373.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 7178151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).