[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone

C22H30N6O2 — CID 121053608

IUPAC[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(N4CCN(CCO)CC4)nn3)CC2)cc1
InChIInChI=1S/C22H30N6O2/c1-18-2-4-19(5-3-18)22(30)28-14-12-27(13-15-28)21-7-6-20(23-24-21)26-10-8-25(9-11-26)16-17-29/h2-7,29H,8-17H2,1H3
InChIKeyVLQZTLXDCPQYLL-UHFFFAOYSA-N
MW410.52 g/mol
LogP0.86
Rot. Bonds5

About [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone

[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 121053608) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID121053608
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(N4CCN(CCO)CC4)nn3)CC2)cc1
InChIInChI=1S/C22H30N6O2/c1-18-2-4-19(5-3-18)22(30)28-14-12-27(13-15-28)21-7-6-20(23-24-21)26-10-8-25(9-11-26)16-17-29/h2-7,29H,8-17H2,1H3
InChIKeyVLQZTLXDCPQYLL-UHFFFAOYSA-N
XLogP0.86
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone with MolForge

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Related Compounds

(4-chlorophenyl)-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053623
4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122336600
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121052957
3-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122336697
(4-chloro-3-nitrophenyl)-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 18584548
(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 121053630
1-[4-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122336493
3-[4-(4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 2050673
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599
cyclopentyl-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336576

Frequently Asked Questions

What is the IUPAC name of [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone (CID 121053608) is [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(c3ccc(N4CCN(CCO)CC4)nn3)CC2)cc1.
What is the InChIKey of [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is VLQZTLXDCPQYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-18-2-4-19(5-3-18)22(30)28-14-12-27(13-15-28)21-7-6-20(23-24-21)26-10-8-25(9-11-26)16-17-29/h2-7,29H,8-17H2,1H3.
What are the key properties of [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 410.52 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 121053608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).