6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one

C24H27N7O — CID 126916410

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CCN3CCN(c4nccc5ccccc45)CC3)n2)n1
InChIInChI=1S/C24H27N7O/c1-18-17-19(2)31(26-18)22-7-8-23(32)30(27-22)16-13-28-11-14-29(15-12-28)24-21-6-4-3-5-20(21)9-10-25-24/h3-10,17H,11-16H2,1-2H3
InChIKeyBCGQMQOANIEAJV-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.42
Rot. Bonds5

About 6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one (PubChem CID 126916410) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one
PubChem CID126916410
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CCN3CCN(c4nccc5ccccc45)CC3)n2)n1
InChIInChI=1S/C24H27N7O/c1-18-17-19(2)31(26-18)22-7-8-23(32)30(27-22)16-13-28-11-14-29(15-12-28)24-21-6-4-3-5-20(21)9-10-25-24/h3-10,17H,11-16H2,1-2H3
InChIKeyBCGQMQOANIEAJV-UHFFFAOYSA-N
XLogP2.42
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916522
2-[2-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126916530
3-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 126916371
2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916157
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916583
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916471
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916533
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916428
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916423
6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126916437
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916451
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916384

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one (CID 126916410) is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(c4nccc5ccccc45)CC3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is BCGQMQOANIEAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-18-17-19(2)31(26-18)22-7-8-23(32)30(27-22)16-13-28-11-14-29(15-12-28)24-21-6-4-3-5-20(21)9-10-25-24/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 429.53 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 126916410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).