5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one

C25H26FN7O2 — CID 10288755

IUPAC5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one
SMILESCN(c1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2N2CCOCC2)n1)c1ccccc1N
InChIInChI=1S/C25H26FN7O2/c1-30(21-6-4-3-5-19(21)27)25-28-12-11-20(29-25)23-22(17-7-9-18(26)10-8-17)24(34)31(2)33(23)32-13-15-35-16-14-32/h3-12H,13-16,27H2,1-2H3
InChIKeyAUPZZOCAFPXGNJ-UHFFFAOYSA-N
MW475.53 g/mol
LogP2.77
Rot. Bonds5

About 5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one

5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one (PubChem CID 10288755) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is 5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one.

Molecular Properties

Compound Name5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one
PubChem CID10288755
Molecular FormulaC25H26FN7O2
Molecular Weight475.53 g/mol
Exact Mass475.21
IUPAC Name5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one
SMILESCN(c1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2N2CCOCC2)n1)c1ccccc1N
InChIInChI=1S/C25H26FN7O2/c1-30(21-6-4-3-5-19(21)27)25-28-12-11-20(29-25)23-22(17-7-9-18(26)10-8-17)24(34)31(2)33(23)32-13-15-35-16-14-32/h3-12H,13-16,27H2,1-2H3
InChIKeyAUPZZOCAFPXGNJ-UHFFFAOYSA-N
XLogP2.77
TPSA94.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one
CID 10174111
5-[2-(benzylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one
CID 23449918
ethyl 2-[4-[3-[2-[benzyl(methyl)amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-5-oxopyrazol-1-yl]piperidin-1-yl]-2-methylpropanoate
CID 90702272
4-(4-fluorophenyl)-1,2-dimethyl-5-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrazol-3-one
CID 10309728
4-[(3S)-3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butyl]morpholine
CID 22901543
2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
CID 10273634
7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
CID 22591526
2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
CID 10182266
2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide
CID 58824286
4-(4-fluorophenyl)-1-methyl-2-(1-methylpiperidin-4-yl)-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]pyrazol-3-one;(1S)-1-phenylethanamine
CID 91422675
4-(4-fluorophenyl)-5-[2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]-1-(2-methoxyethyl)-2-methylpyrazol-3-one
CID 10173435
7-(2-anilinopyrimidin-4-yl)-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one;6-(4-fluorophenyl)-7-(2-methylsulfonylpyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
CID 159323811

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one?
The IUPAC name of 5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one (CID 10288755) is 5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one.
What is the SMILES notation for 5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one?
The canonical SMILES for 5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one is CN(c1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2N2CCOCC2)n1)c1ccccc1N.
What is the InChIKey of 5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one?
The InChIKey is AUPZZOCAFPXGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-30(21-6-4-3-5-19(21)27)25-28-12-11-20(29-25)23-22(17-7-9-18(26)10-8-17)24(34)31(2)33(23)32-13-15-35-16-14-32/h3-12H,13-16,27H2,1-2H3.
What are the key properties of 5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one?
5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one has a molecular weight of 475.53 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one is sourced from PubChem (CID 10288755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).