(1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone

C122H147Cl5F7N37O3 — CID 159391878

About (1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone

(1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone (PubChem CID 159391878) has the molecular formula C122H147Cl5F7N37O3 and a molecular weight of 2490.02 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone.

Molecular Properties

• Compound Name: (1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone
• PubChem CID: 159391878
• Molecular Formula: C122H147Cl5F7N37O3
• Molecular Weight: 2490.02 g/mol
• Exact Mass: 2486.08
• IUPAC Name: (1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone
• SMILES: CNC1(C(=O)N2CCC(c3cc(C)c(Nc4ncc(Cl)c(Nc5cc(C)[nH]n5)n4)cc3C)CC2)CC1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)C5(N)CCC5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C(F)(F)F)c(C4CCNCC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C(F)(F)F)c(C4CCNCC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)C5(N(C)C)CCC5)CC4)cc3C)ncc2Cl)n[nH]1
• InChI: InChI=1S/C28H37ClN8O.C27H34ClN7O.C26H33ClN8O.C21H23ClF3N7.C20H20ClF4N7/c1-17-14-23(31-27-30-16-22(29)25(33-27)32-24-15-19(3)34-35-24)18(2)13-21(17)20-7-11-37(12-8-20)26(38)28(36(4)5)9-6-10-28;1-16-12-21(19-5-9-35(10-6-19)26(36)27(29)7-4-8-27)17(2)11-20(16)14-23-30-15-22(28)25(31-23)32-24-13-18(3)33-34-24;1-15-12-21(30-25-29-14-20(27)23(32-25)31-22-13-17(3)33-34-22)16(2)11-19(15)18-5-9-35(10-6-18)24(36)26(28-4)7-8-26;1-11-7-14(13-3-5-26-6-4-13)15(21(23,24)25)9-17(11)28-20-27-10-16(22)19(30-20)29-18-8-12(2)31-32-18;1-10-6-17(32-31-10)29-18-14(21)9-27-19(30-18)28-16-8-13(20(23,24)25)12(7-15(16)22)11-2-4-26-5-3-11/h13-16,20H,6-12H2,1-5H3,(H3,30,31,32,33,34,35);11-13,15,19H,4-10,14,29H2,1-3H3,(H2,30,31,32,33,34);11-14,18,28H,5-10H2,1-4H3,(H3,29,30,31,32,33,34);7-10,13,26H,3-6H2,1-2H3,(H3,27,28,29,30,31,32);6-9,11,26H,2-5H2,1H3,(H3,27,28,29,30,31,32)
• InChIKey: LMFITTCGCZUIBT-UHFFFAOYSA-N
• XLogP: 25.60
• TPSA: 506.85 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2490.02
LogP ≤ 5	25.60
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone?

The IUPAC name of (1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone (CID 159391878) is (1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone.

What is the SMILES notation for (1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone?

The canonical SMILES for (1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone is CNC1(C(=O)N2CCC(c3cc(C)c(Nc4ncc(Cl)c(Nc5cc(C)[nH]n5)n4)cc3C)CC2)CC1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)C5(N)CCC5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C(F)(F)F)c(C4CCNCC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C(F)(F)F)c(C4CCNCC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)C5(N(C)C)CCC5)CC4)cc3C)ncc2Cl)n[nH]1.

What is the InChIKey of (1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone?

The InChIKey is LMFITTCGCZUIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN8O.C27H34ClN7O.C26H33ClN8O.C21H23ClF3N7.C20H20ClF4N7/c1-17-14-23(31-27-30-16-22(29)25(33-27)32-24-15-19(3)34-35-24)18(2)13-21(17)20-7-11-37(12-8-20)26(38)28(36(4)5)9-6-10-28;1-16-12-21(19-5-9-35(10-6-19)26(36)27(29)7-4-8-27)17(2)11-20(16)14-23-30-15-22(28)25(31-23)32-24-13-18(3)33-34-24;1-15-12-21(30-25-29-14-20(27)23(32-25)31-22-13-17(3)33-34-22)16(2)11-19(15)18-5-9-35(10-6-18)24(36)26(28-4)7-8-26;1-11-7-14(13-3-5-26-6-4-13)15(21(23,24)25)9-17(11)28-20-27-10-16(22)19(30-20)29-18-8-12(2)31-32-18;1-10-6-17(32-31-10)29-18-14(21)9-27-19(30-18)28-16-8-13(20(23,24)25)12(7-15(16)22)11-2-4-26-5-3-11/h13-16,20H,6-12H2,1-5H3,(H3,30,31,32,33,34,35);11-13,15,19H,4-10,14,29H2,1-3H3,(H2,30,31,32,33,34);11-14,18,28H,5-10H2,1-4H3,(H3,29,30,31,32,33,34);7-10,13,26H,3-6H2,1-2H3,(H3,27,28,29,30,31,32);6-9,11,26H,2-5H2,1H3,(H3,27,28,29,30,31,32).

What are the key properties of (1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone?

(1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone has a molecular weight of 2490.02 g/mol, XLogP of 25.60, 30 rotatable bonds, 18 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (1-aminocyclobutyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-piperidin-4-yl-5-(trifluoromethyl)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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclobutyl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone is sourced from PubChem (CID 159391878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).