2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one

C24H24N6O2 — CID 126915831

IUPAC2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=C(c1cccc2[nH]ccc12)N1CCN(CCn2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C24H24N6O2/c31-23-5-4-21(18-6-9-25-10-7-18)27-30(23)17-14-28-12-15-29(16-13-28)24(32)20-2-1-3-22-19(20)8-11-26-22/h1-11,26H,12-17H2
InChIKeyPBIJAAJEZXEQTR-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.24
Rot. Bonds5

About 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one

2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126915831) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126915831
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=C(c1cccc2[nH]ccc12)N1CCN(CCn2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C24H24N6O2/c31-23-5-4-21(18-6-9-25-10-7-18)27-30(23)17-14-28-12-15-29(16-13-28)24(32)20-2-1-3-22-19(20)8-11-26-22/h1-11,26H,12-17H2
InChIKeyPBIJAAJEZXEQTR-UHFFFAOYSA-N
XLogP2.24
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126913604
2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915791
3-[[1-(1H-indole-4-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942543
6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915775
2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915803
N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide
CID 126915800
2-[2-[4-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915784
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916000
2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915844
2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915851
1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887160

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one (CID 126915831) is 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one is O=C(c1cccc2[nH]ccc12)N1CCN(CCn2nc(-c3ccncc3)ccc2=O)CC1.
What is the InChIKey of 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is PBIJAAJEZXEQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-23-5-4-21(18-6-9-25-10-7-18)27-30(23)17-14-28-12-15-29(16-13-28)24(32)20-2-1-3-22-19(20)8-11-26-22/h1-11,26H,12-17H2.
What are the key properties of 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 428.50 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126915831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).