4-(2-chloro-5-methylpyrimidin-4-yl)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine

C70H89ClN20O6S — CID 167665165

About 4-(2-chloro-5-methylpyrimidin-4-yl)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine

4-(2-chloro-5-methylpyrimidin-4-yl)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine (PubChem CID 167665165) has the molecular formula C70H89ClN20O6S and a molecular weight of 1374.14 g/mol. Its IUPAC name is 4-(2-chloro-5-methylpyrimidin-4-yl)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine.

Molecular Properties

• Compound Name: 4-(2-chloro-5-methylpyrimidin-4-yl)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine
• PubChem CID: 167665165
• Molecular Formula: C70H89ClN20O6S
• Molecular Weight: 1374.14 g/mol
• Exact Mass: 1372.67
• IUPAC Name: 4-(2-chloro-5-methylpyrimidin-4-yl)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine
• SMILES: CC(C)(C#N)OS(C)(=O)=O.CN1CCC(n2cc(N)cn2)CC1.Cc1cnc(Cl)nc1-c1ccc(O)cc1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(O)cc1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(OCC(C)(C)C#N)cc1
• InChI: InChI=1S/C25H31N7O.C20H24N6O.C11H9ClN2O.C9H16N4.C5H9NO3S/c1-18-13-27-24(29-20-14-28-32(15-20)21-9-11-31(4)12-10-21)30-23(18)19-5-7-22(8-6-19)33-17-25(2,3)16-26;1-14-11-21-20(24-19(14)15-3-5-18(27)6-4-15)23-16-12-22-26(13-16)17-7-9-25(2)10-8-17;1-7-6-13-11(12)14-10(7)8-2-4-9(15)5-3-8;1-12-4-2-9(3-5-12)13-7-8(10)6-11-13;1-5(2,4-6)9-10(3,7)8/h5-8,13-15,21H,9-12,17H2,1-4H3,(H,27,29,30);3-6,11-13,17,27H,7-10H2,1-2H3,(H,21,23,24);2-6,15H,1H3;6-7,9H,2-5,10H2,1H3;1-3H3
• InChIKey: SNHZHBRYEBWVIK-UHFFFAOYSA-N
• XLogP: 11.76
• TPSA: 331.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1374.14
LogP ≤ 5	11.76
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)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine?

The IUPAC name of 4-(2-chloro-5-methylpyrimidin-4-yl)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine (CID 167665165) is 4-(2-chloro-5-methylpyrimidin-4-yl)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine.

What is the SMILES notation for 4-(2-chloro-5-methylpyrimidin-4-yl)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine?

The canonical SMILES for 4-(2-chloro-5-methylpyrimidin-4-yl)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine is CC(C)(C#N)OS(C)(=O)=O.CN1CCC(n2cc(N)cn2)CC1.Cc1cnc(Cl)nc1-c1ccc(O)cc1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(O)cc1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(OCC(C)(C)C#N)cc1.

What is the InChIKey of 4-(2-chloro-5-methylpyrimidin-4-yl)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine?

The InChIKey is SNHZHBRYEBWVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O.C20H24N6O.C11H9ClN2O.C9H16N4.C5H9NO3S/c1-18-13-27-24(29-20-14-28-32(15-20)21-9-11-31(4)12-10-21)30-23(18)19-5-7-22(8-6-19)33-17-25(2,3)16-26;1-14-11-21-20(24-19(14)15-3-5-18(27)6-4-15)23-16-12-22-26(13-16)17-7-9-25(2)10-8-17;1-7-6-13-11(12)14-10(7)8-2-4-9(15)5-3-8;1-12-4-2-9(3-5-12)13-7-8(10)6-11-13;1-5(2,4-6)9-10(3,7)8/h5-8,13-15,21H,9-12,17H2,1-4H3,(H,27,29,30);3-6,11-13,17,27H,7-10H2,1-2H3,(H,21,23,24);2-6,15H,1H3;6-7,9H,2-5,10H2,1H3;1-3H3.

What are the key properties of 4-(2-chloro-5-methylpyrimidin-4-yl)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine?

4-(2-chloro-5-methylpyrimidin-4-yl)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine has a molecular weight of 1374.14 g/mol, XLogP of 11.76, 15 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)phenol;2-cyanopropan-2-yl methanesulfonate;2,2-dimethyl-3-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenoxy]propanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol;1-(1-methylpiperidin-4-yl)pyrazol-4-amine is sourced from PubChem (CID 167665165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).