[3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C22H25N7O — CID 122347910

IUPAC[3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c1
InChIInChI=1S/C22H25N7O/c1-27(2)19-5-3-4-17(16-19)22(30)29-14-12-28(13-15-29)21-7-6-20(25-26-21)24-18-8-10-23-11-9-18/h3-11,16H,12-15H2,1-2H3,(H,23,24,25)
InChIKeyJBDLEDGRASDWRF-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.64
Rot. Bonds5

About [3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

[3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122347910) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122347910
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name[3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c1
InChIInChI=1S/C22H25N7O/c1-27(2)19-5-3-4-17(16-19)22(30)29-14-12-28(13-15-29)21-7-6-20(25-26-21)24-18-8-10-23-11-9-18/h3-11,16H,12-15H2,1-2H3,(H,23,24,25)
InChIKeyJBDLEDGRASDWRF-UHFFFAOYSA-N
XLogP2.64
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

pyridin-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347828
(3,4-dimethoxyphenyl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 56699559
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 122279371
pyridin-4-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347569
[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 7178151
[4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347137
(3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42111887
(5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347915
[3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856681
[3-(dimethylamino)phenyl]-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337249
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
(E)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 122347866

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122347910) is [3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is JBDLEDGRASDWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-27(2)19-5-3-4-17(16-19)22(30)29-14-12-28(13-15-29)21-7-6-20(25-26-21)24-18-8-10-23-11-9-18/h3-11,16H,12-15H2,1-2H3,(H,23,24,25).
What are the key properties of [3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 403.49 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122347910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).