6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one

C23H27N9O — CID 126916583

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CCN3CCN(c4nc(C)nc5cnccc45)CC3)n2)n1
InChIInChI=1S/C23H27N9O/c1-16-14-17(2)32(27-16)21-4-5-22(33)31(28-21)13-10-29-8-11-30(12-9-29)23-19-6-7-24-15-20(19)25-18(3)26-23/h4-7,14-15H,8-13H2,1-3H3
InChIKeyQJGZXUGWEYQICY-UHFFFAOYSA-N
MW445.53 g/mol
LogP1.51
Rot. Bonds5

About 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126916583) has the molecular formula C23H27N9O and a molecular weight of 445.53 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126916583
Molecular FormulaC23H27N9O
Molecular Weight445.53 g/mol
Exact Mass445.23
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CCN3CCN(c4nc(C)nc5cnccc45)CC3)n2)n1
InChIInChI=1S/C23H27N9O/c1-16-14-17(2)32(27-16)21-4-5-22(33)31(28-21)13-10-29-8-11-30(12-9-29)23-19-6-7-24-15-20(19)25-18(3)26-23/h4-7,14-15H,8-13H2,1-3H3
InChIKeyQJGZXUGWEYQICY-UHFFFAOYSA-N
XLogP1.51
TPSA97.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913536
6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916410
6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916522
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
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
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-(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-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916451
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-(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-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 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) is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(c4nc(C)nc5cnccc45)CC3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is QJGZXUGWEYQICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O/c1-16-14-17(2)32(27-16)21-4-5-22(33)31(28-21)13-10-29-8-11-30(12-9-29)23-19-6-7-24-15-20(19)25-18(3)26-23/h4-7,14-15H,8-13H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 445.53 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126916583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).