5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-yl)methanone

C101H112Cl4F5N35O5 — CID 160737235

About 5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-yl)methanone

5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-yl)methanone (PubChem CID 160737235) has the molecular formula C101H112Cl4F5N35O5 and a molecular weight of 2133.05 g/mol. Its IUPAC name is 5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-yl)methanone.

Molecular Properties

• Compound Name: 5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-yl)methanone
• PubChem CID: 160737235
• Molecular Formula: C101H112Cl4F5N35O5
• Molecular Weight: 2133.05 g/mol
• Exact Mass: 2129.83
• IUPAC Name: 5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-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)c5nc(C)oc5C(F)(F)F)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)n5cnnn5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1noc(CN2CCC(c3cc(C)c(Nc4ncc(Cl)c(Nc5cc(C)[nH]n5)n4)cc3C)CC2)n1
• InChI: InChI=1S/C27H26ClF4N7O2.C26H32ClN9O.C25H30ClN9O.C23H24ClFN10O/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;1-5-22-30-24(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)34-36-23;1-13-7-16(9-20-26-11-18(24)22(28-20)29-21-8-14(2)30-31-21)19(25)10-17(13)15-3-5-34(6-4-15)23(36)35-12-27-32-33-35/h8-9,11-12,16H,4-7,10H2,1-3H3,(H2,33,35,36,37,38);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);7-8,10-12,15H,3-6,9H2,1-2H3,(H2,26,28,29,30,31)
• InChIKey: RVCSDFBRDGAKER-UHFFFAOYSA-N
• XLogP: 20.98
• TPSA: 484.59 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2133.05
LogP ≤ 5	20.98
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-yl)methanone?

The IUPAC name of 5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-yl)methanone (CID 160737235) is 5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-yl)methanone.

What is the SMILES notation for 5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-yl)methanone?

The canonical SMILES for 5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-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)c5nc(C)oc5C(F)(F)F)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)n5cnnn5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1noc(CN2CCC(c3cc(C)c(Nc4ncc(Cl)c(Nc5cc(C)[nH]n5)n4)cc3C)CC2)n1.

What is the InChIKey of 5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-yl)methanone?

The InChIKey is RVCSDFBRDGAKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF4N7O2.C26H32ClN9O.C25H30ClN9O.C23H24ClFN10O/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;1-5-22-30-24(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)34-36-23;1-13-7-16(9-20-26-11-18(24)22(28-20)29-21-8-14(2)30-31-21)19(25)10-17(13)15-3-5-34(6-4-15)23(36)35-12-27-32-33-35/h8-9,11-12,16H,4-7,10H2,1-3H3,(H2,33,35,36,37,38);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);7-8,10-12,15H,3-6,9H2,1-2H3,(H2,26,28,29,30,31).

What are the key properties of 5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-yl)methanone?

5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-yl)methanone has a molecular weight of 2133.05 g/mol, XLogP of 20.98, 26 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-[2,5-dimethyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-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;[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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(tetrazol-1-yl)methanone is sourced from PubChem (CID 160737235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).