5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone

C101H122Cl5F2N29O6S — CID 160703025

About 5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone

5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone (PubChem CID 160703025) has the molecular formula C101H122Cl5F2N29O6S and a molecular weight of 2085.61 g/mol. Its IUPAC name is 5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone.

Molecular Properties

• Compound Name: 5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone
• PubChem CID: 160703025
• Molecular Formula: C101H122Cl5F2N29O6S
• Molecular Weight: 2085.61 g/mol
• Exact Mass: 2081.83
• IUPAC Name: 5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone
• SMILES: Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)[C@@H]5COCCN5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Cc3cc(Cl)c(C4CCN(C5CCS(=O)(=O)C5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C5COC5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5noc(C(C)C)n5)CC4)cc3C)ncc2Cl)n[nH]1
• InChI: InChI=1S/C27H34ClN9O.C26H31ClFN7O2.C25H30Cl2N6O2S.C23H27ClFN7O/c1-15(2)26-32-24(36-38-26)14-37-8-6-19(7-9-37)20-10-17(4)22(11-16(20)3)30-27-29-13-21(28)25(33-27)31-23-12-18(5)34-35-23;1-15-9-18(11-23-30-13-20(27)25(31-23)32-24-10-16(2)33-34-24)21(28)12-19(15)17-3-6-35(7-4-17)26(36)22-14-37-8-5-29-22;1-15-9-20(17-3-6-33(7-4-17)19-5-8-36(34,35)14-19)21(26)11-18(15)12-23-28-13-22(27)25(29-23)30-24-10-16(2)31-32-24;1-13-7-20(19(25)9-17(13)15-3-5-32(6-4-15)16-11-33-12-16)27-23-26-10-18(24)22(29-23)28-21-8-14(2)30-31-21/h10-13,15,19H,6-9,14H2,1-5H3,(H3,29,30,31,33,34,35);9-10,12-13,17,22,29H,3-8,11,14H2,1-2H3,(H2,30,31,32,33,34);9-11,13,17,19H,3-8,12,14H2,1-2H3,(H2,28,29,30,31,32);7-10,15-16H,3-6,11-12H2,1-2H3,(H3,26,27,28,29,30,31)/t;22-;;/m.0../s1
• InChIKey: RQWDSEOLTMYNJV-HRRNSCMASA-N
• XLogP: 19.29
• TPSA: 423.60 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.61
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone?

The IUPAC name of 5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone (CID 160703025) is 5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone.

What is the SMILES notation for 5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone?

The canonical SMILES for 5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone is Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)[C@@H]5COCCN5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Cc3cc(Cl)c(C4CCN(C5CCS(=O)(=O)C5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C5COC5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5noc(C(C)C)n5)CC4)cc3C)ncc2Cl)n[nH]1.

What is the InChIKey of 5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone?

The InChIKey is RQWDSEOLTMYNJV-HRRNSCMASA-N. The full InChI is InChI=1S/C27H34ClN9O.C26H31ClFN7O2.C25H30Cl2N6O2S.C23H27ClFN7O/c1-15(2)26-32-24(36-38-26)14-37-8-6-19(7-9-37)20-10-17(4)22(11-16(20)3)30-27-29-13-21(28)25(33-27)31-23-12-18(5)34-35-23;1-15-9-18(11-23-30-13-20(27)25(31-23)32-24-10-16(2)33-34-24)21(28)12-19(15)17-3-6-35(7-4-17)26(36)22-14-37-8-5-29-22;1-15-9-20(17-3-6-33(7-4-17)19-5-8-36(34,35)14-19)21(26)11-18(15)12-23-28-13-22(27)25(29-23)30-24-10-16(2)31-32-24;1-13-7-20(19(25)9-17(13)15-3-5-32(6-4-15)16-11-33-12-16)27-23-26-10-18(24)22(29-23)28-21-8-14(2)30-31-21/h10-13,15,19H,6-9,14H2,1-5H3,(H3,29,30,31,33,34,35);9-10,12-13,17,22,29H,3-8,11,14H2,1-2H3,(H2,30,31,32,33,34);9-11,13,17,19H,3-8,12,14H2,1-2H3,(H2,28,29,30,31,32);7-10,15-16H,3-6,11-12H2,1-2H3,(H3,26,27,28,29,30,31)/t;22-;;/m.0../s1.

What are the key properties of 5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone?

5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone has a molecular weight of 2085.61 g/mol, XLogP of 19.29, 26 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-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-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-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]-[(3S)-morpholin-3-yl]methanone is sourced from PubChem (CID 160703025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).