2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C120H144Cl5F10N37O3 — CID 160692374

About 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 160692374) has the molecular formula C120H144Cl5F10N37O3 and a molecular weight of 2519.97 g/mol. Its IUPAC name is 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

• Compound Name: 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
• PubChem CID: 160692374
• Molecular Formula: C120H144Cl5F10N37O3
• Molecular Weight: 2519.97 g/mol
• Exact Mass: 2516.05
• IUPAC Name: 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
• SMILES: CCN1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C(F)(F)F)CC1.CCN1CCC(c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C(F)(F)F)CC1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(CCC(=O)N5CCCC5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)CCN(C)C)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)CN)CC4)cc3F)ncc2Cl)n[nH]1
• InChI: InChI=1S/C28H35ClFN7O.C25H32ClFN8O.C23H27ClF3N7.C22H24ClF4N7.C22H26ClFN8O/c1-18-13-21(15-25-31-17-23(29)28(32-25)33-26-14-19(2)34-35-26)24(30)16-22(18)20-5-10-36(11-6-20)12-7-27(38)37-8-3-4-9-37;1-15-11-21(29-25-28-14-19(26)24(31-25)30-22-12-16(2)32-33-22)20(27)13-18(15)17-5-9-35(10-6-17)23(36)7-8-34(3)4;1-4-34-7-5-15(6-8-34)16-9-13(2)19(11-17(16)23(25,26)27)29-22-28-12-18(24)21(31-22)30-20-10-14(3)32-33-20;1-3-34-6-4-13(5-7-34)14-9-17(24)18(10-15(14)22(25,26)27)29-21-28-11-16(23)20(31-21)30-19-8-12(2)32-33-19;1-12-7-18(17(24)9-15(12)14-3-5-32(6-4-14)20(33)10-25)27-22-26-11-16(23)21(29-22)28-19-8-13(2)30-31-19/h13-14,16-17,20H,3-12,15H2,1-2H3,(H2,31,32,33,34,35);11-14,17H,5-10H2,1-4H3,(H3,28,29,30,31,32,33);9-12,15H,4-8H2,1-3H3,(H3,28,29,30,31,32,33);8-11,13H,3-7H2,1-2H3,(H3,28,29,30,31,32,33);7-9,11,14H,3-6,10,25H2,1-2H3,(H3,26,27,28,29,30,31)
• InChIKey: RPOMJTXDZUYNGN-UHFFFAOYSA-N
• XLogP: 25.83
• TPSA: 480.48 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 32
• Rotatable Bonds: 34
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2519.97
LogP ≤ 5	25.83
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?

The IUPAC name of 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 160692374) is 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

What is the SMILES notation for 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?

The canonical SMILES for 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CCN1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C(F)(F)F)CC1.CCN1CCC(c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C(F)(F)F)CC1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(CCC(=O)N5CCCC5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)CCN(C)C)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)CN)CC4)cc3F)ncc2Cl)n[nH]1.

What is the InChIKey of 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?

The InChIKey is RPOMJTXDZUYNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClFN7O.C25H32ClFN8O.C23H27ClF3N7.C22H24ClF4N7.C22H26ClFN8O/c1-18-13-21(15-25-31-17-23(29)28(32-25)33-26-14-19(2)34-35-26)24(30)16-22(18)20-5-10-36(11-6-20)12-7-27(38)37-8-3-4-9-37;1-15-11-21(29-25-28-14-19(26)24(31-25)30-22-12-16(2)32-33-22)20(27)13-18(15)17-5-9-35(10-6-17)23(36)7-8-34(3)4;1-4-34-7-5-15(6-8-34)16-9-13(2)19(11-17(16)23(25,26)27)29-22-28-12-18(24)21(31-22)30-20-10-14(3)32-33-20;1-3-34-6-4-13(5-7-34)14-9-17(24)18(10-15(14)22(25,26)27)29-21-28-11-16(23)20(31-21)30-19-8-12(2)32-33-19;1-12-7-18(17(24)9-15(12)14-3-5-32(6-4-14)20(33)10-25)27-22-26-11-16(23)21(29-22)28-19-8-13(2)30-31-19/h13-14,16-17,20H,3-12,15H2,1-2H3,(H2,31,32,33,34,35);11-14,17H,5-10H2,1-4H3,(H3,28,29,30,31,32,33);9-12,15H,4-8H2,1-3H3,(H3,28,29,30,31,32,33);8-11,13H,3-7H2,1-2H3,(H3,28,29,30,31,32,33);7-9,11,14H,3-6,10,25H2,1-2H3,(H3,26,27,28,29,30,31).

What are the key properties of 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?

2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 2519.97 g/mol, XLogP of 25.83, 34 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 160692374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).