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

C24H20N8O — CID 127025215

IUPAC2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCn1cc(-c2cnc(Nc3cccc(Cn4nc(-c5ccncc5)ccc4=O)c3)nc2)cn1
InChIInChI=1S/C24H20N8O/c1-31-16-20(14-28-31)19-12-26-24(27-13-19)29-21-4-2-3-17(11-21)15-32-23(33)6-5-22(30-32)18-7-9-25-10-8-18/h2-14,16H,15H2,1H3,(H,26,27,29)
InChIKeyZEUQTNFIAHACIS-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.29
Rot. Bonds6

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

2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 127025215) has the molecular formula C24H20N8O and a molecular weight of 436.48 g/mol. Its IUPAC name is 2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID127025215
Molecular FormulaC24H20N8O
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCn1cc(-c2cnc(Nc3cccc(Cn4nc(-c5ccncc5)ccc4=O)c3)nc2)cn1
InChIInChI=1S/C24H20N8O/c1-31-16-20(14-28-31)19-12-26-24(27-13-19)29-21-4-2-3-17(11-21)15-32-23(33)6-5-22(30-32)18-7-9-25-10-8-18/h2-14,16H,15H2,1H3,(H,26,27,29)
InChIKeyZEUQTNFIAHACIS-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 2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

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CID 6539379
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N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide
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Jak2-IN-7
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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 2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 127025215) is 2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-3-one is Cn1cc(-c2cnc(Nc3cccc(Cn4nc(-c5ccncc5)ccc4=O)c3)nc2)cn1.
What is the InChIKey of 2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is ZEUQTNFIAHACIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O/c1-31-16-20(14-28-31)19-12-26-24(27-13-19)29-21-4-2-3-17(11-21)15-32-23(33)6-5-22(30-32)18-7-9-25-10-8-18/h2-14,16H,15H2,1H3,(H,26,27,29).
What are the key properties of 2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-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 2-[[3-[[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 127025215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).