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

C20H23N5O2 — CID 126913604

IUPAC2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(C(=O)c3cccc4[nH]ccc34)CC2)n1
InChIInChI=1S/C20H23N5O2/c1-15-5-6-19(26)25(22-15)14-11-23-9-12-24(13-10-23)20(27)17-3-2-4-18-16(17)7-8-21-18/h2-8,21H,9-14H2,1H3
InChIKeyQTERCSVTXRHIJX-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.49
Rot. Bonds4

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

2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (PubChem CID 126913604) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
PubChem CID126913604
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(C(=O)c3cccc4[nH]ccc34)CC2)n1
InChIInChI=1S/C20H23N5O2/c1-15-5-6-19(26)25(22-15)14-11-23-9-12-24(13-10-23)20(27)17-3-2-4-18-16(17)7-8-21-18/h2-8,21H,9-14H2,1H3
InChIKeyQTERCSVTXRHIJX-UHFFFAOYSA-N
XLogP1.49
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915831
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
6-methyl-2-[2-[4-(2-phenyltriazole-4-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126855869
[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride
CID 162310957
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1H-indole-5-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916342
2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one
CID 126913839
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607
6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913559
[4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone
CID 174436559
4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 126913608

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (CID 126913604) is 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(C(=O)c3cccc4[nH]ccc34)CC2)n1.
What is the InChIKey of 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The InChIKey is QTERCSVTXRHIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-15-5-6-19(26)25(22-15)14-11-23-9-12-24(13-10-23)20(27)17-3-2-4-18-16(17)7-8-21-18/h2-8,21H,9-14H2,1H3.
What are the key properties of 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one has a molecular weight of 365.44 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126913604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).