5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone

C105H119Cl4F5N32O6 — CID 158871072

About 5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone

5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (PubChem CID 158871072) has the molecular formula C105H119Cl4F5N32O6 and a molecular weight of 2162.13 g/mol. Its IUPAC name is 5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

• Compound Name: 5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
• PubChem CID: 158871072
• Molecular Formula: C105H119Cl4F5N32O6
• Molecular Weight: 2162.13 g/mol
• Exact Mass: 2158.87
• IUPAC Name: 5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
• SMILES: CCc1noc(CN2CCC(c3cc(C)c(Nc4ncc(Cl)c(Nc5cc(C)[nH]n5)n4)cc3C)CC2)n1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)C5CCCC(=O)N5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)c5nc(C)oc5C(F)(F)F)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5noc(C)n5)CC4)cc3C)ncc2Cl)n[nH]1
• InChI: InChI=1S/C27H26ClF4N7O2.C27H31ClFN7O2.C26H32ClN9O.C25H30ClN9O/c1-13-8-17(10-21-33-12-19(28)25(35-21)36-22-9-14(2)37-38-22)20(29)11-18(13)16-4-6-39(7-5-16)26(40)23-24(27(30,31)32)41-15(3)34-23;1-15-10-18(12-23-30-14-20(28)26(32-23)33-24-11-16(2)34-35-24)21(29)13-19(15)17-6-8-36(9-7-17)27(38)22-4-3-5-25(37)31-22;1-5-22-30-24(37-35-22)14-36-8-6-18(7-9-36)19-10-16(3)21(11-15(19)2)29-26-28-13-20(27)25(32-26)31-23-12-17(4)33-34-23;1-14-10-21(29-25-27-12-20(26)24(31-25)30-22-11-16(3)32-33-22)15(2)9-19(14)18-5-7-35(8-6-18)13-23-28-17(4)36-34-23/h8-9,11-12,16H,4-7,10H2,1-3H3,(H2,33,35,36,37,38);10-11,13-14,17,22H,3-9,12H2,1-2H3,(H,31,37)(H2,30,32,33,34,35);10-13,18H,5-9,14H2,1-4H3,(H3,28,29,31,32,33,34);9-12,18H,5-8,13H2,1-4H3,(H3,27,29,30,31,32,33)
• InChIKey: JBVSBFLNGOQQQL-UHFFFAOYSA-N
• XLogP: 21.52
• TPSA: 470.09 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2162.13
LogP ≤ 5	21.52
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?

The IUPAC name of 5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (CID 158871072) is 5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.

What is the SMILES notation for 5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?

The canonical SMILES for 5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is CCc1noc(CN2CCC(c3cc(C)c(Nc4ncc(Cl)c(Nc5cc(C)[nH]n5)n4)cc3C)CC2)n1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)C5CCCC(=O)N5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)c5nc(C)oc5C(F)(F)F)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5noc(C)n5)CC4)cc3C)ncc2Cl)n[nH]1.

What is the InChIKey of 5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?

The InChIKey is JBVSBFLNGOQQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF4N7O2.C27H31ClFN7O2.C26H32ClN9O.C25H30ClN9O/c1-13-8-17(10-21-33-12-19(28)25(35-21)36-22-9-14(2)37-38-22)20(29)11-18(13)16-4-6-39(7-5-16)26(40)23-24(27(30,31)32)41-15(3)34-23;1-15-10-18(12-23-30-14-20(28)26(32-23)33-24-11-16(2)34-35-24)21(29)13-19(15)17-6-8-36(9-7-17)27(38)22-4-3-5-25(37)31-22;1-5-22-30-24(37-35-22)14-36-8-6-18(7-9-36)19-10-16(3)21(11-15(19)2)29-26-28-13-20(27)25(32-26)31-23-12-17(4)33-34-23;1-14-10-21(29-25-27-12-20(26)24(31-25)30-22-11-16(3)32-33-22)15(2)9-19(14)18-5-7-35(8-6-18)13-23-28-17(4)36-34-23/h8-9,11-12,16H,4-7,10H2,1-3H3,(H2,33,35,36,37,38);10-11,13-14,17,22H,3-9,12H2,1-2H3,(H,31,37)(H2,30,32,33,34,35);10-13,18H,5-9,14H2,1-4H3,(H3,28,29,31,32,33,34);9-12,18H,5-8,13H2,1-4H3,(H3,27,29,30,31,32,33).

What are the key properties of 5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?

5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 2162.13 g/mol, XLogP of 21.52, 27 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-2-one;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 158871072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).