1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C21H21N7O — CID 121113928

IUPAC1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1nccn1-c1ccc(N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)nn1
InChIInChI=1S/C21H21N7O/c1-15-22-8-9-28(15)20-7-6-19(24-25-20)26-10-12-27(13-11-26)21(29)17-14-23-18-5-3-2-4-16(17)18/h2-9,14,23H,10-13H2,1H3
InChIKeyAQDVIFKBQMUZQC-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.41
Rot. Bonds3

About 1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121113928) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121113928
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1nccn1-c1ccc(N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)nn1
InChIInChI=1S/C21H21N7O/c1-15-22-8-9-28(15)20-7-6-19(24-25-20)26-10-12-27(13-11-26)21(29)17-14-23-18-5-3-2-4-16(17)18/h2-9,14,23H,10-13H2,1H3
InChIKeyAQDVIFKBQMUZQC-UHFFFAOYSA-N
XLogP2.41
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71791222
3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 121113735
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 90539554
3H-benzimidazol-5-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113874
(2,5-dimethylfuran-3-yl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113824
(3,4-dimethylphenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113754
(3,5-dichlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113880
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121113744
1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 121114370
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 121113684
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121113768
3-methyl-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one
CID 121113750

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121113928) is 1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is Cc1nccn1-c1ccc(N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)nn1.
What is the InChIKey of 1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is AQDVIFKBQMUZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-15-22-8-9-28(15)20-7-6-19(24-25-20)26-10-12-27(13-11-26)21(29)17-14-23-18-5-3-2-4-16(17)18/h2-9,14,23H,10-13H2,1H3.
What are the key properties of 1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 387.45 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121113928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).