6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one

C25H24N6O2 — CID 126915775

IUPAC6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(c1ccc2ccccc2n1)N1CCN(CCn2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C25H24N6O2/c32-24-8-7-22(20-9-11-26-12-10-20)28-31(24)18-15-29-13-16-30(17-14-29)25(33)23-6-5-19-3-1-2-4-21(19)27-23/h1-12H,13-18H2
InChIKeyLMKLLVCGICBSLE-UHFFFAOYSA-N
MW440.51 g/mol
LogP2.31
Rot. Bonds5

About 6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one

6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126915775) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126915775
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(c1ccc2ccccc2n1)N1CCN(CCn2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C25H24N6O2/c32-24-8-7-22(20-9-11-26-12-10-20)28-31(24)18-15-29-13-16-30(17-14-29)25(33)23-6-5-19-3-1-2-4-21(19)27-23/h1-12H,13-18H2
InChIKeyLMKLLVCGICBSLE-UHFFFAOYSA-N
XLogP2.31
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915791
2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915803
2-[2-[4-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915784
2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915831
N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide
CID 126915800
6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916000
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]quinoline-2-carboxamide
CID 18569760
2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915851
2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915844
2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915536
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126916015

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126915775) is 6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one is O=C(c1ccc2ccccc2n1)N1CCN(CCn2nc(-c3ccncc3)ccc2=O)CC1.
What is the InChIKey of 6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is LMKLLVCGICBSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c32-24-8-7-22(20-9-11-26-12-10-20)28-31(24)18-15-29-13-16-30(17-14-29)25(33)23-6-5-19-3-1-2-4-21(19)27-23/h1-12H,13-18H2.
What are the key properties of 6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 440.51 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126915775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).