2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone

C118H153Cl4FN32O5 — CID 158345170

About 2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone

2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone (PubChem CID 158345170) has the molecular formula C118H153Cl4FN32O5 and a molecular weight of 2260.55 g/mol. Its IUPAC name is 2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone
• PubChem CID: 158345170
• Molecular Formula: C118H153Cl4FN32O5
• Molecular Weight: 2260.55 g/mol
• Exact Mass: 2257.14
• IUPAC Name: 2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone
• SMILES: Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)CN5C(C)(C)CCCC5(C)C)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)CN5C(C)CCCC5C)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)c5nc(C(C)C)no5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5noc(C(C)(C)C)n5)CC4)cc3C)ncc2Cl)n[nH]1
• InChI: InChI=1S/C33H46ClN7O.C31H42ClN7O.C28H36ClN9O.C26H29ClFN9O2/c1-21-16-26(24-9-13-40(14-10-24)30(42)20-41-32(4,5)11-8-12-33(41,6)7)22(2)15-25(21)18-28-35-19-27(34)31(36-28)37-29-17-23(3)38-39-29;1-19-14-26(24-9-11-38(12-10-24)30(40)18-39-22(4)7-6-8-23(39)5)20(2)13-25(19)16-28-33-17-27(32)31(34-28)35-29-15-21(3)36-37-29;1-16-12-22(31-27-30-14-21(29)25(34-27)32-23-13-18(3)35-36-23)17(2)11-20(16)19-7-9-38(10-8-19)15-24-33-26(39-37-24)28(4,5)6;1-13(2)22-32-24(39-36-22)25(38)37-7-5-16(6-8-37)17-11-19(28)20(9-14(17)3)30-26-29-12-18(27)23(33-26)31-21-10-15(4)34-35-21/h15-17,19,24H,8-14,18,20H2,1-7H3,(H2,35,36,37,38,39);13-15,17,22-24H,6-12,16,18H2,1-5H3,(H2,33,34,35,36,37);11-14,19H,7-10,15H2,1-6H3,(H3,30,31,32,34,35,36);9-13,16H,5-8H2,1-4H3,(H3,29,30,31,33,34,35)
• InChIKey: GRQJFCGMDHIKMV-UHFFFAOYSA-N
• XLogP: 24.89
• TPSA: 438.51 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2260.55
LogP ≤ 5	24.89
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone?

The IUPAC name of 2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone (CID 158345170) is 2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone.

What is the SMILES notation for 2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone?

The canonical SMILES for 2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone is Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)CN5C(C)(C)CCCC5(C)C)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)CN5C(C)CCCC5C)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)c5nc(C(C)C)no5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5noc(C(C)(C)C)n5)CC4)cc3C)ncc2Cl)n[nH]1.

What is the InChIKey of 2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone?

The InChIKey is GRQJFCGMDHIKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46ClN7O.C31H42ClN7O.C28H36ClN9O.C26H29ClFN9O2/c1-21-16-26(24-9-13-40(14-10-24)30(42)20-41-32(4,5)11-8-12-33(41,6)7)22(2)15-25(21)18-28-35-19-27(34)31(36-28)37-29-17-23(3)38-39-29;1-19-14-26(24-9-11-38(12-10-24)30(40)18-39-22(4)7-6-8-23(39)5)20(2)13-25(19)16-28-33-17-27(32)31(34-28)35-29-15-21(3)36-37-29;1-16-12-22(31-27-30-14-21(29)25(34-27)32-23-13-18(3)35-36-23)17(2)11-20(16)19-7-9-38(10-8-19)15-24-33-26(39-37-24)28(4,5)6;1-13(2)22-32-24(39-36-22)25(38)37-7-5-16(6-8-37)17-11-19(28)20(9-14(17)3)30-26-29-12-18(27)23(33-26)31-21-10-15(4)34-35-21/h15-17,19,24H,8-14,18,20H2,1-7H3,(H2,35,36,37,38,39);13-15,17,22-24H,6-12,16,18H2,1-5H3,(H2,33,34,35,36,37);11-14,19H,7-10,15H2,1-6H3,(H3,30,31,32,34,35,36);9-13,16H,5-8H2,1-4H3,(H3,29,30,31,33,34,35).

What are the key properties of 2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone?

2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone has a molecular weight of 2260.55 g/mol, XLogP of 24.89, 28 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-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]amino]-5-fluoro-2-methylphenyl]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]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 158345170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).