6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one

C19H21N7O — CID 126916000

IUPAC6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CCN1CCN(c2ccncn2)CC1
InChIInChI=1S/C19H21N7O/c27-19-2-1-17(16-3-6-20-7-4-16)23-26(19)14-11-24-9-12-25(13-10-24)18-5-8-21-15-22-18/h1-8,15H,9-14H2
InChIKeyKRHXLCCTLCFJEZ-UHFFFAOYSA-N
MW363.43 g/mol
LogP0.92
Rot. Bonds5

About 6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one

6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one (PubChem CID 126916000) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
PubChem CID126916000
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CCN1CCN(c2ccncn2)CC1
InChIInChI=1S/C19H21N7O/c27-19-2-1-17(16-3-6-20-7-4-16)23-26(19)14-11-24-9-12-25(13-10-24)18-5-8-21-15-22-18/h1-8,15H,9-14H2
InChIKeyKRHXLCCTLCFJEZ-UHFFFAOYSA-N
XLogP0.92
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915844
6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915847
2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915851
3-[4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 126915845
2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126916015
2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914663
2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915902
2-[2-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915614
N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide
CID 126915800
2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915791
6-pyridin-4-yl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915969
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915576

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one (CID 126916000) is 6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CCN1CCN(c2ccncn2)CC1.
What is the InChIKey of 6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is KRHXLCCTLCFJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c27-19-2-1-17(16-3-6-20-7-4-16)23-26(19)14-11-24-9-12-25(13-10-24)18-5-8-21-15-22-18/h1-8,15H,9-14H2.
What are the key properties of 6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 363.43 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 126916000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).