(1-aminocyclopropyl)-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;(1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[5-chloro-2-methyl-4-[1-(3,3,3-trifluoropropyl)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-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine

C122H142Cl6F11N35O2 — CID 162173175

About (1-aminocyclopropyl)-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;(1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[5-chloro-2-methyl-4-[1-(3,3,3-trifluoropropyl)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-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine

(1-aminocyclopropyl)-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;(1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[5-chloro-2-methyl-4-[1-(3,3,3-trifluoropropyl)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-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine (PubChem CID 162173175) has the molecular formula C122H142Cl6F11N35O2 and a molecular weight of 2552.42 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;(1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[5-chloro-2-methyl-4-[1-(3,3,3-trifluoropropyl)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-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine.

Molecular Properties

• Compound Name: (1-aminocyclopropyl)-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;(1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[5-chloro-2-methyl-4-[1-(3,3,3-trifluoropropyl)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-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine
• PubChem CID: 162173175
• Molecular Formula: C122H142Cl6F11N35O2
• Molecular Weight: 2552.42 g/mol
• Exact Mass: 2548.00
• IUPAC Name: (1-aminocyclopropyl)-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;(1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[5-chloro-2-methyl-4-[1-(3,3,3-trifluoropropyl)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-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine
• SMILES: Cc1cc(C2CCN(C(=O)C3(N)CC3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1.Cc1cc(Cc2nc(Cc3cc(C4CCN(CCC(F)(F)F)CC4)c(F)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCCN(C(=O)C5(N)CC5)C4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CC(F)(F)F)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(Cl)c(C4CCN(CCC(F)(F)F)CC4)cc3C)ncc2Cl)n[nH]1
• InChI: InChI=1S/C27H33ClN8O.C25H28ClF4N5.C25H31ClN8O.C23H26Cl2F3N7.C22H24ClF4N7/c1-15-12-21(16(2)11-19(15)17-5-9-36(10-6-17)25(37)27(29)7-8-27)31-26-30-14-20(28)24(33-26)32-23-13-22(34-35-23)18-3-4-18;1-15-9-22(27)20(17-3-6-35(7-4-17)8-5-25(28,29)30)11-18(15)12-24-31-14-21(26)23(32-24)13-19-10-16(2)33-34-19;1-14-10-20(29-24-28-12-19(26)22(31-24)30-21-11-16(3)32-33-21)15(2)9-18(14)17-5-4-8-34(13-17)23(35)25(27)6-7-25;1-13-9-16(15-3-6-35(7-4-15)8-5-23(26,27)28)17(24)11-19(13)30-22-29-12-18(25)21(32-22)31-20-10-14(2)33-34-20;1-12-7-18(17(24)9-15(12)14-3-5-34(6-4-14)11-22(25,26)27)29-21-28-10-16(23)20(31-21)30-19-8-13(2)32-33-19/h11-14,17-18H,3-10,29H2,1-2H3,(H3,30,31,32,33,34,35);9-11,14,17H,3-8,12-13H2,1-2H3,(H,33,34);9-12,17H,4-8,13,27H2,1-3H3,(H3,28,29,30,31,32,33);9-12,15H,3-8H2,1-2H3,(H3,29,30,31,32,33,34);7-10,14H,3-6,11H2,1-2H3,(H3,28,29,30,31,32,33)
• InChIKey: ZOBBBEAYPSYJQM-UHFFFAOYSA-N
• XLogP: 28.00
• TPSA: 470.92 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2552.42
LogP ≤ 5	28.00
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of (1-aminocyclopropyl)-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;(1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[5-chloro-2-methyl-4-[1-(3,3,3-trifluoropropyl)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-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine (CID 162173175) is (1-aminocyclopropyl)-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;(1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[5-chloro-2-methyl-4-[1-(3,3,3-trifluoropropyl)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-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine.

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

The canonical SMILES for (1-aminocyclopropyl)-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;(1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[5-chloro-2-methyl-4-[1-(3,3,3-trifluoropropyl)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-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine is Cc1cc(C2CCN(C(=O)C3(N)CC3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1.Cc1cc(Cc2nc(Cc3cc(C4CCN(CCC(F)(F)F)CC4)c(F)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCCN(C(=O)C5(N)CC5)C4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CC(F)(F)F)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(Cl)c(C4CCN(CCC(F)(F)F)CC4)cc3C)ncc2Cl)n[nH]1.

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

The InChIKey is ZOBBBEAYPSYJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN8O.C25H28ClF4N5.C25H31ClN8O.C23H26Cl2F3N7.C22H24ClF4N7/c1-15-12-21(16(2)11-19(15)17-5-9-36(10-6-17)25(37)27(29)7-8-27)31-26-30-14-20(28)24(33-26)32-23-13-22(34-35-23)18-3-4-18;1-15-9-22(27)20(17-3-6-35(7-4-17)8-5-25(28,29)30)11-18(15)12-24-31-14-21(26)23(32-24)13-19-10-16(2)33-34-19;1-14-10-20(29-24-28-12-19(26)22(31-24)30-21-11-16(3)32-33-21)15(2)9-18(14)17-5-4-8-34(13-17)23(35)25(27)6-7-25;1-13-9-16(15-3-6-35(7-4-15)8-5-23(26,27)28)17(24)11-19(13)30-22-29-12-18(25)21(32-22)31-20-10-14(2)33-34-20;1-12-7-18(17(24)9-15(12)14-3-5-34(6-4-14)11-22(25,26)27)29-21-28-10-16(23)20(31-21)30-19-8-13(2)32-33-19/h11-14,17-18H,3-10,29H2,1-2H3,(H3,30,31,32,33,34,35);9-11,14,17H,3-8,12-13H2,1-2H3,(H,33,34);9-12,17H,4-8,13,27H2,1-3H3,(H3,28,29,30,31,32,33);9-12,15H,3-8H2,1-2H3,(H3,29,30,31,32,33,34);7-10,14H,3-6,11H2,1-2H3,(H3,28,29,30,31,32,33).

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

(1-aminocyclopropyl)-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;(1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[5-chloro-2-methyl-4-[1-(3,3,3-trifluoropropyl)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-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine has a molecular weight of 2552.42 g/mol, XLogP of 28.00, 33 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (1-aminocyclopropyl)-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;(1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;5-chloro-2-N-[5-chloro-2-methyl-4-[1-(3,3,3-trifluoropropyl)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-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine is sourced from PubChem (CID 162173175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).