[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone

C20H25N5O — CID 122279371

IUPAC[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1
InChIInChI=1S/C20H25N5O/c1-23(2)17-5-3-4-16(14-17)20(26)25-12-10-24(11-13-25)19-9-8-18(21-22-19)15-6-7-15/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3
InChIKeyYSNGENGGCFIKSS-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.38
Rot. Bonds4

About [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone

[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone (PubChem CID 122279371) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
PubChem CID122279371
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1
InChIInChI=1S/C20H25N5O/c1-23(2)17-5-3-4-16(14-17)20(26)25-12-10-24(11-13-25)19-9-8-18(21-22-19)15-6-7-15/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3
InChIKeyYSNGENGGCFIKSS-UHFFFAOYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone 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

[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
[3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347910
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 121053720
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
[4-(dimethylamino)phenyl]-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336109
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585104
4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 122279277
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 122279263
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122279513

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone (CID 122279371) is [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone is CN(C)c1cccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1.
What is the InChIKey of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The InChIKey is YSNGENGGCFIKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-23(2)17-5-3-4-16(14-17)20(26)25-12-10-24(11-13-25)19-9-8-18(21-22-19)15-6-7-15/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3.
What are the key properties of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone?
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone has a molecular weight of 351.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 122279371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).