2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone

C21H22N6O2 — CID 42111980

IUPAC2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C21H22N6O2/c28-21(16-29-18-4-2-1-3-5-18)27-14-12-26(13-15-27)20-7-6-19(24-25-20)23-17-8-10-22-11-9-17/h1-11H,12-16H2,(H,22,23,24)
InChIKeyFRDQYUDCEXKJOO-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.34
Rot. Bonds6

About 2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone

2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 42111980) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID42111980
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C21H22N6O2/c28-21(16-29-18-4-2-1-3-5-18)27-14-12-26(13-15-27)20-7-6-19(24-25-20)23-17-8-10-22-11-9-17/h1-11H,12-16H2,(H,22,23,24)
InChIKeyFRDQYUDCEXKJOO-UHFFFAOYSA-N
XLogP2.34
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US11104665, Example 2.1
CID 146503251
US11104665, Example 2.3
CID 146538562
2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192863
4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide
CID 127038603
1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68690161
N-(4-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethoxy)phenyl)acetamide (1e)
CID 91937737
2-Phenoxy-1-[4-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-piperazin-1-yl]-ethanone
CID 652995
4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2H-1,4-benzoxazin-3(4H)-one
CID 3242706
N-(3-methoxyphenyl)-4-(6-((4-methylpyridin-2-yl)amino)pyridazin-3-yl)piperazine-1-carboxamide
CID 42111696
2-(4-Fluorophenoxy)-N-{2-oxo-2-[4-(pyridin-2-YL)piperazin-1-YL]ethyl}acetamide
CID 53161536
N-(4-(2-oxo-2-(4-(pyrimidin-2-yl)piperazin-1-yl)ethoxy)phenyl)acetamide (1f)
CID 91937738
2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 51117273

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 42111980) is 2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone is O=C(COc1ccccc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is FRDQYUDCEXKJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-21(16-29-18-4-2-1-3-5-18)27-14-12-26(13-15-27)20-7-6-19(24-25-20)23-17-8-10-22-11-9-17/h1-11H,12-16H2,(H,22,23,24).
What are the key properties of 2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 390.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 42111980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).