[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone

C23H27N7O — CID 122335889

IUPAC[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone
SMILESCC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc4nccnc4c3)CC2)nn1
InChIInChI=1S/C23H27N7O/c1-17-4-2-3-11-30(17)22-8-7-21(26-27-22)28-12-14-29(15-13-28)23(31)18-5-6-19-20(16-18)25-10-9-24-19/h5-10,16-17H,2-4,11-15H2,1H3
InChIKeyPZXXGPJFJWFAPP-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.76
Rot. Bonds3

About [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone

[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 122335889) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID122335889
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone
SMILESCC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc4nccnc4c3)CC2)nn1
InChIInChI=1S/C23H27N7O/c1-17-4-2-3-11-30(17)22-8-7-21(26-27-22)28-12-14-29(15-13-28)23(31)18-5-6-19-20(16-18)25-10-9-24-19/h5-10,16-17H,2-4,11-15H2,1H3
InChIKeyPZXXGPJFJWFAPP-UHFFFAOYSA-N
XLogP2.76
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone with MolForge

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Related Compounds

1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335774
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897
(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053406
(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335846
[4-(dimethylamino)phenyl]-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335819
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122335890
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
[2-(2-methylpiperidin-1-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 166191035
[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 122341664
2,1,3-benzothiadiazol-5-yl-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336053
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121053900
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 122335765

Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone (CID 122335889) is [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone is CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc4nccnc4c3)CC2)nn1.
What is the InChIKey of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is PZXXGPJFJWFAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-17-4-2-3-11-30(17)22-8-7-21(26-27-22)28-12-14-29(15-13-28)23(31)18-5-6-19-20(16-18)25-10-9-24-19/h5-10,16-17H,2-4,11-15H2,1H3.
What are the key properties of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone?
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 417.52 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 122335889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).