2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine

C58H72N24O9 — CID 167567643

IUPAC2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCC(=O)OCC(=O)N1CCC(n2cc(-c3ccnc(Nc4cnn(C)c4)n3)cn2)CC1.CC(=O)OCC(=O)O.Cn1cc(Nc2nccc(-c3cnn(C4CCN(C(=O)CO)CC4)c3)n2)cn1.Cn1cc(Nc2nccc(-c3cnn(C4CCNCC4)c3)n2)cn1
InChIInChI=1S/C20H24N8O3.C18H22N8O2.C16H20N8.C4H6O4/c1-14(29)31-13-19(30)27-7-4-17(5-8-27)28-11-15(9-23-28)18-3-6-21-20(25-18)24-16-10-22-26(2)12-16;1-24-11-14(9-20-24)22-18-19-5-2-16(23-18)13-8-21-26(10-13)15-3-6-25(7-4-15)17(28)12-27;1-23-11-13(9-19-23)21-16-18-7-4-15(22-16)12-8-20-24(10-12)14-2-5-17-6-3-14;1-3(5)8-2-4(6)7/h3,6,9-12,17H,4-5,7-8,13H2,1-2H3,(H,21,24,25);2,5,8-11,15,27H,3-4,6-7,12H2,1H3,(H,19,22,23);4,7-11,14,17H,2-3,5-6H2,1H3,(H,18,21,22);2H2,1H3,(H,6,7)
InChIKeyFMKKODWHKQGVNU-UHFFFAOYSA-N
MW1249.37 g/mol
LogP3.89
Rot. Bonds17

About 2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine

2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 167567643) has the molecular formula C58H72N24O9 and a molecular weight of 1249.37 g/mol. Its IUPAC name is 2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID167567643
Molecular FormulaC58H72N24O9
Molecular Weight1249.37 g/mol
Exact Mass1248.59
IUPAC Name2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCC(=O)OCC(=O)N1CCC(n2cc(-c3ccnc(Nc4cnn(C)c4)n3)cn2)CC1.CC(=O)OCC(=O)O.Cn1cc(Nc2nccc(-c3cnn(C4CCN(C(=O)CO)CC4)c3)n2)cn1.Cn1cc(Nc2nccc(-c3cnn(C4CCNCC4)c3)n2)cn1
InChIInChI=1S/C20H24N8O3.C18H22N8O2.C16H20N8.C4H6O4/c1-14(29)31-13-19(30)27-7-4-17(5-8-27)28-11-15(9-23-28)18-3-6-21-20(25-18)24-16-10-22-26(2)12-16;1-24-11-14(9-20-24)22-18-19-5-2-16(23-18)13-8-21-26(10-13)15-3-6-25(7-4-15)17(28)12-27;1-23-11-13(9-19-23)21-16-18-7-4-15(22-16)12-8-20-24(10-12)14-2-5-17-6-3-14;1-3(5)8-2-4(6)7/h3,6,9-12,17H,4-5,7-8,13H2,1-2H3,(H,21,24,25);2,5,8-11,15,27H,3-4,6-7,12H2,1H3,(H,19,22,23);4,7-11,14,17H,2-3,5-6H2,1H3,(H,18,21,22);2H2,1H3,(H,6,7)
InChIKeyFMKKODWHKQGVNU-UHFFFAOYSA-N
XLogP3.89
TPSA383.13 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds17
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001249.37
LogP ≤ 53.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine 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

1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one
CID 150528640
N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
CID 150455915
1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one
CID 151991771
lithium;2-acetyloxyacetic acid;4-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine;2-hydroxy-1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]pyrazol-1-yl]azetidin-1-yl]ethanone;[2-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]pyrazol-1-yl]azetidin-1-yl]-2-oxoethyl] acetate;hydroxide;hydrochloride
CID 167620576
N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 150212359
4-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151093664
4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 134421040
1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone
CID 152574958
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504
N-(cyanomethyl)-4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide
CID 154940246
2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoic acid
CID 150793941
4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 118209525

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine (CID 167567643) is 2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine is CC(=O)OCC(=O)N1CCC(n2cc(-c3ccnc(Nc4cnn(C)c4)n3)cn2)CC1.CC(=O)OCC(=O)O.Cn1cc(Nc2nccc(-c3cnn(C4CCN(C(=O)CO)CC4)c3)n2)cn1.Cn1cc(Nc2nccc(-c3cnn(C4CCNCC4)c3)n2)cn1.
What is the InChIKey of 2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is FMKKODWHKQGVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3.C18H22N8O2.C16H20N8.C4H6O4/c1-14(29)31-13-19(30)27-7-4-17(5-8-27)28-11-15(9-23-28)18-3-6-21-20(25-18)24-16-10-22-26(2)12-16;1-24-11-14(9-20-24)22-18-19-5-2-16(23-18)13-8-21-26(10-13)15-3-6-25(7-4-15)17(28)12-27;1-23-11-13(9-19-23)21-16-18-7-4-15(22-16)12-8-20-24(10-12)14-2-5-17-6-3-14;1-3(5)8-2-4(6)7/h3,6,9-12,17H,4-5,7-8,13H2,1-2H3,(H,21,24,25);2,5,8-11,15,27H,3-4,6-7,12H2,1H3,(H,19,22,23);4,7-11,14,17H,2-3,5-6H2,1H3,(H,18,21,22);2H2,1H3,(H,6,7).
What are the key properties of 2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 1249.37 g/mol, XLogP of 3.89, 17 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 167567643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).