4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine

C72H92ClF3N20O6S — CID 167660468

About 4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine

4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine (PubChem CID 167660468) has the molecular formula C72H92ClF3N20O6S and a molecular weight of 1458.18 g/mol. Its IUPAC name is 4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine.

Molecular Properties

• Compound Name: 4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine
• PubChem CID: 167660468
• Molecular Formula: C72H92ClF3N20O6S
• Molecular Weight: 1458.18 g/mol
• Exact Mass: 1456.69
• IUPAC Name: 4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine
• SMILES: C.CC(C)(C#N)COS(C)(=O)=O.CN1CCC(n2cc(N)cn2)CC1.Cc1cnc(Cl)nc1-c1ccc(O)c(F)c1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(O)c(F)c1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(OCC(C)(C)C#N)c(F)c1
• InChI: InChI=1S/C25H30FN7O.C20H23FN6O.C11H8ClFN2O.C9H16N4.C6H11NO3S.CH4/c1-17-12-28-24(30-19-13-29-33(14-19)20-7-9-32(4)10-8-20)31-23(17)18-5-6-22(21(26)11-18)34-16-25(2,3)15-27;1-13-10-22-20(25-19(13)14-3-4-18(28)17(21)9-14)24-15-11-23-27(12-15)16-5-7-26(2)8-6-16;1-6-5-14-11(12)15-10(6)7-2-3-9(16)8(13)4-7;1-12-4-2-9(3-5-12)13-7-8(10)6-11-13;1-6(2,4-7)5-10-11(3,8)9;/h5-6,11-14,20H,7-10,16H2,1-4H3,(H,28,30,31);3-4,9-12,16,28H,5-8H2,1-2H3,(H,22,24,25);2-5,16H,1H3;6-7,9H,2-5,10H2,1H3;5H2,1-3H3;1H4
• InChIKey: RWQNDTJZZYSAAL-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 331.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1458.18
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine?

The IUPAC name of 4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine (CID 167660468) is 4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine.

What is the SMILES notation for 4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine?

The canonical SMILES for 4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine is C.CC(C)(C#N)COS(C)(=O)=O.CN1CCC(n2cc(N)cn2)CC1.Cc1cnc(Cl)nc1-c1ccc(O)c(F)c1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(O)c(F)c1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(OCC(C)(C)C#N)c(F)c1.

What is the InChIKey of 4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine?

The InChIKey is RWQNDTJZZYSAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O.C20H23FN6O.C11H8ClFN2O.C9H16N4.C6H11NO3S.CH4/c1-17-12-28-24(30-19-13-29-33(14-19)20-7-9-32(4)10-8-20)31-23(17)18-5-6-22(21(26)11-18)34-16-25(2,3)15-27;1-13-10-22-20(25-19(13)14-3-4-18(28)17(21)9-14)24-15-11-23-27(12-15)16-5-7-26(2)8-6-16;1-6-5-14-11(12)15-10(6)7-2-3-9(16)8(13)4-7;1-12-4-2-9(3-5-12)13-7-8(10)6-11-13;1-6(2,4-7)5-10-11(3,8)9;/h5-6,11-14,20H,7-10,16H2,1-4H3,(H,28,30,31);3-4,9-12,16,28H,5-8H2,1-2H3,(H,22,24,25);2-5,16H,1H3;6-7,9H,2-5,10H2,1H3;5H2,1-3H3;1H4.

What are the key properties of 4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine?

4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine has a molecular weight of 1458.18 g/mol, XLogP of 13.06, 16 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-5-methylpyrimidin-4-yl)-2-fluorophenol;(2-cyano-2-methylpropyl) methanesulfonate;2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;3-[2-fluoro-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]-2,2-dimethylpropanenitrile;methane;1-(1-methylpiperidin-4-yl)pyrazol-4-amine is sourced from PubChem (CID 167660468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).