[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone

C22H29N5OS — CID 122336160

IUPAC[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCN(c3ccc(N4CCC(C)CC4)nn3)CC2)cc1
InChIInChI=1S/C22H29N5OS/c1-17-9-11-25(12-10-17)20-7-8-21(24-23-20)26-13-15-27(16-14-26)22(28)18-3-5-19(29-2)6-4-18/h3-8,17H,9-16H2,1-2H3
InChIKeyWUKXEVAJEFHQHN-UHFFFAOYSA-N
MW411.58 g/mol
LogP3.40
Rot. Bonds4

About [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone

[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 122336160) has the molecular formula C22H29N5OS and a molecular weight of 411.58 g/mol. Its IUPAC name is [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID122336160
Molecular FormulaC22H29N5OS
Molecular Weight411.58 g/mol
Exact Mass411.21
IUPAC Name[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCN(c3ccc(N4CCC(C)CC4)nn3)CC2)cc1
InChIInChI=1S/C22H29N5OS/c1-17-9-11-25(12-10-17)20-7-8-21(24-23-20)26-13-15-27(16-14-26)22(28)18-3-5-19(29-2)6-4-18/h3-8,17H,9-16H2,1-2H3
InChIKeyWUKXEVAJEFHQHN-UHFFFAOYSA-N
XLogP3.40
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.58
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)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-tert-butylphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053458
(4-methoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053460
[4-(dimethylamino)phenyl]-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336109
[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-nitrophenyl)methanone
CID 121053475
[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053925
2,1,3-benzothiadiazol-5-yl-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336053
(4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone
CID 53035074
(6-cyclopentyloxy-3-pyridinyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336194
(4-chloropiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 79205656
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109152530
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone (CID 122336160) is [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)N2CCN(c3ccc(N4CCC(C)CC4)nn3)CC2)cc1.
What is the InChIKey of [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is WUKXEVAJEFHQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5OS/c1-17-9-11-25(12-10-17)20-7-8-21(24-23-20)26-13-15-27(16-14-26)22(28)18-3-5-19(29-2)6-4-18/h3-8,17H,9-16H2,1-2H3.
What are the key properties of [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 411.58 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 122336160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).