6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one

C25H25N9O — CID 127025844

IUPAC6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one
SMILESCC(C)n1cc(-c2cnc(Nc3cccc(Cn4nc(-c5cnn(C)c5)ccc4=O)c3)nc2)cn1
InChIInChI=1S/C25H25N9O/c1-17(2)33-16-20(12-29-33)19-10-26-25(27-11-19)30-22-6-4-5-18(9-22)14-34-24(35)8-7-23(31-34)21-13-28-32(3)15-21/h4-13,15-17H,14H2,1-3H3,(H,26,27,30)
InChIKeyGLAYRUJLRHEBAB-UHFFFAOYSA-N
MW467.54 g/mol
LogP3.67
Rot. Bonds7

About 6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one

6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one (PubChem CID 127025844) has the molecular formula C25H25N9O and a molecular weight of 467.54 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one
PubChem CID127025844
Molecular FormulaC25H25N9O
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one
SMILESCC(C)n1cc(-c2cnc(Nc3cccc(Cn4nc(-c5cnn(C)c5)ccc4=O)c3)nc2)cn1
InChIInChI=1S/C25H25N9O/c1-17(2)33-16-20(12-29-33)19-10-26-25(27-11-19)30-22-6-4-5-18(9-22)14-34-24(35)8-7-23(31-34)21-13-28-32(3)15-21/h4-13,15-17H,14H2,1-3H3,(H,26,27,30)
InChIKeyGLAYRUJLRHEBAB-UHFFFAOYSA-N
XLogP3.67
TPSA108.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

FK-3453
CID 52939114
N-[(6-Amino-2,4-Dimethylpyridin-3-Yl)methyl]-1-({4-[(1h-Pyrazol-1-Yl)methyl]phenyl}methyl)-1h-Pyrazole-4-Carboxamide
CID 58081298
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
1-{4-[7-Amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl}-3-(3-trifluoromethylphenyl)urea
CID 44560803
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
Pyrazolo[1,5-b]pyridazine deriv. 38
CID 6539380
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one (CID 127025844) is 6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one is CC(C)n1cc(-c2cnc(Nc3cccc(Cn4nc(-c5cnn(C)c5)ccc4=O)c3)nc2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one?
The InChIKey is GLAYRUJLRHEBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O/c1-17(2)33-16-20(12-29-33)19-10-26-25(27-11-19)30-22-6-4-5-18(9-22)14-34-24(35)8-7-23(31-34)21-13-28-32(3)15-21/h4-13,15-17H,14H2,1-3H3,(H,26,27,30).
What are the key properties of 6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one?
6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one has a molecular weight of 467.54 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-2-[[3-[[5-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 127025844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).