6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid

C23H25N5O3 — CID 169273232

IUPAC6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESCCc1cc(-c2cncc(O)c2)ccc1CN1CCN(c2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C23H25N5O3/c1-2-16-11-17(19-12-20(29)14-24-13-19)3-4-18(16)15-27-7-9-28(10-8-27)22-6-5-21(23(30)31)25-26-22/h3-6,11-14,29H,2,7-10,15H2,1H3,(H,30,31)
InChIKeyUSXUXSPSXHJDCQ-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.83
Rot. Bonds6

About 6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid

6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 169273232) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid
PubChem CID169273232
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESCCc1cc(-c2cncc(O)c2)ccc1CN1CCN(c2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C23H25N5O3/c1-2-16-11-17(19-12-20(29)14-24-13-19)3-4-18(16)15-27-7-9-28(10-8-27)22-6-5-21(23(30)31)25-26-22/h3-6,11-14,29H,2,7-10,15H2,1H3,(H,30,31)
InChIKeyUSXUXSPSXHJDCQ-UHFFFAOYSA-N
XLogP2.83
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 6-[4-[[2-ethyl-4-(3-hydroxyphenyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylate
CID 169272503
6-[4-[[4-(5-hydroxy-3-pyridinyl)-3-methylphenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 169270900
6-[4-[[4-(5-ethoxy-3-pyridinyl)-2-ethylphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 169271297
N,N-diethyl-4-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide
CID 169272776
N-(1-adamantylmethyl)-6-[4-[[4-(5-hydroxy-3-pyridinyl)-2-methoxyphenyl]methyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 169272487
prop-2-enyl 4-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzoate
CID 169272852
N-(1-adamantylmethyl)-6-[4-[[4-(5-ethoxy-3-pyridinyl)-2-ethylphenyl]methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide
CID 169272892
N-(1-adamantylmethyl)-4-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide
CID 169271290
6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 169270921
6-[4-[[4-(5-hydroxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 178064757
tert-butyl 6-[4-[[3-(5-hydroxy-3-pyridinyl)-5-propan-2-yloxyphenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylate
CID 169270924
N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 169271892

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid (CID 169273232) is 6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid is CCc1cc(-c2cncc(O)c2)ccc1CN1CCN(c2ccc(C(=O)O)nn2)CC1.
What is the InChIKey of 6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is USXUXSPSXHJDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-2-16-11-17(19-12-20(29)14-24-13-19)3-4-18(16)15-27-7-9-28(10-8-27)22-6-5-21(23(30)31)25-26-22/h3-6,11-14,29H,2,7-10,15H2,1H3,(H,30,31).
What are the key properties of 6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 419.49 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-ethyl-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 169273232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).