2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid

C19H28N4O3 — CID 70190444

IUPAC2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(CCC(=O)N2CCN(c3ccnnc3)CC2)CC1
InChIInChI=1S/C19H28N4O3/c24-18(6-5-15-1-3-16(4-2-15)13-19(25)26)23-11-9-22(10-12-23)17-7-8-20-21-14-17/h7-8,14-16H,1-6,9-13H2,(H,25,26)
InChIKeyPFVBZFNDUDWYHF-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.19
Rot. Bonds6

About 2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid

2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid (PubChem CID 70190444) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid
PubChem CID70190444
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(CCC(=O)N2CCN(c3ccnnc3)CC2)CC1
InChIInChI=1S/C19H28N4O3/c24-18(6-5-15-1-3-16(4-2-15)13-19(25)26)23-11-9-22(10-12-23)17-7-8-20-21-14-17/h7-8,14-16H,1-6,9-13H2,(H,25,26)
InChIKeyPFVBZFNDUDWYHF-UHFFFAOYSA-N
XLogP2.19
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid 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

2-[4-[4-[2-(Pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
CID 19068083
2-[1-Hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
CID 19068101
2-[4-[4-(Pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid
CID 19068113
2-[4-[4-[4-(Pyridazin-4-ylamino)butyl]piperazin-1-yl]cyclohexyl]acetic acid
CID 19068122
2-[4-[1-(Pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid
CID 19068125
2-[4-[4-[2-(Pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid
CID 19068127
4-[[2-Oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-oxazolidin-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 21833567
4-[[2-Oxo-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 21833657
2-[4-(4-Pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid
CID 70189736
2-[4-[2-Oxo-2-(4-pyridazin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetic acid
CID 70189743
2-[1-[2-Oxo-2-(4-pyridazin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 70190439
2-[1-[6-Oxo-6-(4-pyridazin-4-ylpiperazin-1-yl)hexanoyl]piperidin-4-yl]acetic acid
CID 70190450

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid (CID 70190444) is 2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid is O=C(O)CC1CCC(CCC(=O)N2CCN(c3ccnnc3)CC2)CC1.
What is the InChIKey of 2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid?
The InChIKey is PFVBZFNDUDWYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-18(6-5-15-1-3-16(4-2-15)13-19(25)26)23-11-9-22(10-12-23)17-7-8-20-21-14-17/h7-8,14-16H,1-6,9-13H2,(H,25,26).
What are the key properties of 2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid?
2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid has a molecular weight of 360.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid is sourced from PubChem (CID 70190444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).