5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione

C105H128Cl4FN31O7 — CID 158572447

About 5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione

5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione (PubChem CID 158572447) has the molecular formula C105H128Cl4FN31O7 and a molecular weight of 2097.20 g/mol. Its IUPAC name is 5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione.

Molecular Properties

• Compound Name: 5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione
• PubChem CID: 158572447
• Molecular Formula: C105H128Cl4FN31O7
• Molecular Weight: 2097.20 g/mol
• Exact Mass: 2093.94
• IUPAC Name: 5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione
• SMILES: CC(=O)CCC(=O)N1CCC(c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1.COCC(=O)N1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(CCc5nc(C(C)C)no5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)c5nc(C(C)C)no5)CC4)cc3C)ncc2Cl)n[nH]1
• InChI: InChI=1S/C29H37ClN8O.C27H32ClN9O2.C25H29ClFN7O2.C24H30ClN7O2/c1-17(2)28-34-27(39-37-28)8-11-38-9-6-21(7-10-38)23-13-18(3)22(12-19(23)4)15-25-31-16-24(30)29(32-25)33-26-14-20(5)35-36-26;1-14(2)23-32-25(39-36-23)26(38)37-8-6-18(7-9-37)19-10-16(4)21(11-15(19)3)30-27-29-13-20(28)24(33-27)31-22-12-17(5)34-35-22;1-14-10-21(29-25-28-13-19(26)24(31-25)30-22-11-15(2)32-33-22)20(27)12-18(14)17-6-8-34(9-7-17)23(36)5-4-16(3)35;1-14-10-20(15(2)9-18(14)17-5-7-32(8-6-17)22(33)13-34-4)27-24-26-12-19(25)23(29-24)28-21-11-16(3)30-31-21/h12-14,16-17,21H,6-11,15H2,1-5H3,(H2,31,32,33,35,36);10-14,18H,6-9H2,1-5H3,(H3,29,30,31,33,34,35);10-13,17H,4-9H2,1-3H3,(H3,28,29,30,31,32,33);9-12,17H,5-8,13H2,1-4H3,(H3,26,27,28,29,30,31)
• InChIKey: HSGDUHLJPAAJFJ-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 470.36 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 31
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2097.20
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione?

The IUPAC name of 5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione (CID 158572447) is 5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione.

What is the SMILES notation for 5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione?

The canonical SMILES for 5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione is CC(=O)CCC(=O)N1CCC(c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1.COCC(=O)N1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(CCc5nc(C(C)C)no5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)c5nc(C(C)C)no5)CC4)cc3C)ncc2Cl)n[nH]1.

What is the InChIKey of 5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione?

The InChIKey is HSGDUHLJPAAJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClN8O.C27H32ClN9O2.C25H29ClFN7O2.C24H30ClN7O2/c1-17(2)28-34-27(39-37-28)8-11-38-9-6-21(7-10-38)23-13-18(3)22(12-19(23)4)15-25-31-16-24(30)29(32-25)33-26-14-20(5)35-36-26;1-14(2)23-32-25(39-36-23)26(38)37-8-6-18(7-9-37)19-10-16(4)21(11-15(19)3)30-27-29-13-20(28)24(33-27)31-22-12-17(5)34-35-22;1-14-10-21(29-25-28-13-19(26)24(31-25)30-22-11-15(2)32-33-22)20(27)12-18(14)17-6-8-34(9-7-17)23(36)5-4-16(3)35;1-14-10-20(15(2)9-18(14)17-5-7-32(8-6-17)22(33)13-34-4)27-24-26-12-19(25)23(29-24)28-21-11-16(3)30-31-21/h12-14,16-17,21H,6-11,15H2,1-5H3,(H2,31,32,33,35,36);10-14,18H,6-9H2,1-5H3,(H3,29,30,31,33,34,35);10-13,17H,4-9H2,1-3H3,(H3,28,29,30,31,32,33);9-12,17H,5-8,13H2,1-4H3,(H3,26,27,28,29,30,31).

What are the key properties of 5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione?

5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione has a molecular weight of 2097.20 g/mol, XLogP of 21.62, 31 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[[2,5-dimethyl-4-[1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methoxyethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]pentane-1,4-dione is sourced from PubChem (CID 158572447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).