6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one

C24H20N8O — CID 127027082

IUPAC6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one
SMILESCn1cc(-c2ccc(=O)n(Cc3cccc(Nc4ncc(-c5cccnc5)cn4)c3)n2)cn1
InChIInChI=1S/C24H20N8O/c1-31-16-20(14-28-31)22-7-8-23(33)32(30-22)15-17-4-2-6-21(10-17)29-24-26-12-19(13-27-24)18-5-3-9-25-11-18/h2-14,16H,15H2,1H3,(H,26,27,29)
InChIKeyUPRHYUFSOFTSOO-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.29
Rot. Bonds6

About 6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one

6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one (PubChem CID 127027082) has the molecular formula C24H20N8O and a molecular weight of 436.48 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one
PubChem CID127027082
Molecular FormulaC24H20N8O
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one
SMILESCn1cc(-c2ccc(=O)n(Cc3cccc(Nc4ncc(-c5cccnc5)cn4)c3)n2)cn1
InChIInChI=1S/C24H20N8O/c1-31-16-20(14-28-31)22-7-8-23(33)32(30-22)15-17-4-2-6-21(10-17)29-24-26-12-19(13-27-24)18-5-3-9-25-11-18/h2-14,16H,15H2,1H3,(H,26,27,29)
InChIKeyUPRHYUFSOFTSOO-UHFFFAOYSA-N
XLogP3.29
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 57340689
N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide
CID 134812662
Jak2-IN-7
CID 155925850
N-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-methylamino]methyl]phenyl]prop-2-enamide
CID 118475617
N-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475621
N-[3-[[[2-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475623
N-[3-[[[5-chloro-2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475656
N-[3-[[[5-chloro-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475677
5-[5-amino-7-(4-fluorophenyl)-2-[(5-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1H-pyridin-2-one
CID 156821390
5-[5-Amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 156821433
Pyrazolo[1,5-b]pyridazine deriv. 38
CID 6539380

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one (CID 127027082) is 6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one is Cn1cc(-c2ccc(=O)n(Cc3cccc(Nc4ncc(-c5cccnc5)cn4)c3)n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one?
The InChIKey is UPRHYUFSOFTSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O/c1-31-16-20(14-28-31)22-7-8-23(33)32(30-22)15-17-4-2-6-21(10-17)29-24-26-12-19(13-27-24)18-5-3-9-25-11-18/h2-14,16H,15H2,1H3,(H,26,27,29).
What are the key properties of 6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one?
6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one has a molecular weight of 436.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-2-[[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 127027082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).