lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide

C100H121ClLiN27O11S — CID 167587913

About lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide

lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide (PubChem CID 167587913) has the molecular formula C100H121ClLiN27O11S and a molecular weight of 1951.71 g/mol. Its IUPAC name is lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide.

Molecular Properties

• Compound Name: lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide
• PubChem CID: 167587913
• Molecular Formula: C100H121ClLiN27O11S
• Molecular Weight: 1951.71 g/mol
• Exact Mass: 1949.93
• IUPAC Name: lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide
• SMILES: CN1CCC(n2cc(N)cn2)CC1.COC(=O)c1ccc(-c2nc(Cl)ncc2C)cc1.COC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2C)cc1.C[C@H](O)C#N.Cc1ccc(S(N)(=O)=O)cc1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(C(=O)C[C@@H](C)C#N)cc1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(C(=O)O)cc1.[Li+].[OH-]
• InChI: InChI=1S/C25H29N7O.C22H26N6O2.C21H24N6O2.C13H11ClN2O2.C9H16N4.C7H9NO2S.C3H5NO.Li.H2O/c1-17(13-26)12-23(33)19-4-6-20(7-5-19)24-18(2)14-27-25(30-24)29-21-15-28-32(16-21)22-8-10-31(3)11-9-22;1-15-12-23-22(26-20(15)16-4-6-17(7-5-16)21(29)30-3)25-18-13-24-28(14-18)19-8-10-27(2)11-9-19;1-14-11-22-21(25-19(14)15-3-5-16(6-4-15)20(28)29)24-17-12-23-27(13-17)18-7-9-26(2)10-8-18;1-8-7-15-13(14)16-11(8)9-3-5-10(6-4-9)12(17)18-2;1-12-4-2-9(3-5-12)13-7-8(10)6-11-13;1-6-2-4-7(5-3-6)11(8,9)10;1-3(5)2-4;;/h4-7,14-17,22H,8-12H2,1-3H3,(H,27,29,30);4-7,12-14,19H,8-11H2,1-3H3,(H,23,25,26);3-6,11-13,18H,7-10H2,1-2H3,(H,28,29)(H,22,24,25);3-7H,1-2H3;6-7,9H,2-5,10H2,1H3;2-5H,1H3,(H2,8,9,10);3,5H,1H3;;1H2/q;;;;;;;+1;/p-1/t17-;;;;;;3-;;/m1.....0../s1
• InChIKey: IASGZSBFUIEROJ-UIRWUZOQSA-M
• XLogP: 12.18
• TPSA: 514.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1951.71
LogP ≤ 5	12.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide?

The IUPAC name of lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide (CID 167587913) is lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide.

What is the SMILES notation for lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide?

The canonical SMILES for lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide is CN1CCC(n2cc(N)cn2)CC1.COC(=O)c1ccc(-c2nc(Cl)ncc2C)cc1.COC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2C)cc1.C[C@H](O)C#N.Cc1ccc(S(N)(=O)=O)cc1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(C(=O)C[C@@H](C)C#N)cc1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(C(=O)O)cc1.[Li+].[OH-].

What is the InChIKey of lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide?

The InChIKey is IASGZSBFUIEROJ-UIRWUZOQSA-M. The full InChI is InChI=1S/C25H29N7O.C22H26N6O2.C21H24N6O2.C13H11ClN2O2.C9H16N4.C7H9NO2S.C3H5NO.Li.H2O/c1-17(13-26)12-23(33)19-4-6-20(7-5-19)24-18(2)14-27-25(30-24)29-21-15-28-32(16-21)22-8-10-31(3)11-9-22;1-15-12-23-22(26-20(15)16-4-6-17(7-5-16)21(29)30-3)25-18-13-24-28(14-18)19-8-10-27(2)11-9-19;1-14-11-22-21(25-19(14)15-3-5-16(6-4-15)20(28)29)24-17-12-23-27(13-17)18-7-9-26(2)10-8-18;1-8-7-15-13(14)16-11(8)9-3-5-10(6-4-9)12(17)18-2;1-12-4-2-9(3-5-12)13-7-8(10)6-11-13;1-6-2-4-7(5-3-6)11(8,9)10;1-3(5)2-4;;/h4-7,14-17,22H,8-12H2,1-3H3,(H,27,29,30);4-7,12-14,19H,8-11H2,1-3H3,(H,23,25,26);3-6,11-13,18H,7-10H2,1-2H3,(H,28,29)(H,22,24,25);3-7H,1-2H3;6-7,9H,2-5,10H2,1H3;2-5H,1H3,(H2,8,9,10);3,5H,1H3;;1H2/q;;;;;;;+1;/p-1/t17-;;;;;;3-;;/m1.....0../s1.

What are the key properties of lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide?

lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide has a molecular weight of 1951.71 g/mol, XLogP of 12.18, 21 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide is sourced from PubChem (CID 167587913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).