1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol

C122H152Cl5F5N34O3 — CID 158661266

About 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol

1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol (PubChem CID 158661266) has the molecular formula C122H152Cl5F5N34O3 and a molecular weight of 2415.05 g/mol. Its IUPAC name is 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol.

Molecular Properties

• Compound Name: 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol
• PubChem CID: 158661266
• Molecular Formula: C122H152Cl5F5N34O3
• Molecular Weight: 2415.05 g/mol
• Exact Mass: 2411.11
• IUPAC Name: 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol
• SMILES: CCC(C(N)=O)N1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1.Cc1cc(C2CCN(C(=O)CN(C)C)CC2)c(C)cc1Cc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1.Cc1cc(Cc2nc(Cc3cc(C)c([C@H]4CCCCN4C)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CCO)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(F)c(C4CCN(CCC(F)(F)F)CC4)cc3F)ncc2Cl)n[nH]1
• InChI: InChI=1S/C28H36ClN7O.C25H33ClN8O.C24H30ClN5.C23H30ClN7O.C22H23ClF5N7/c1-17-12-22(19-7-9-36(10-8-19)27(37)16-35(3)4)18(2)11-21(17)13-25-30-15-23(29)28(31-25)32-26-14-24(33-34-26)20-5-6-20;1-5-21(23(27)35)34-8-6-17(7-9-34)18-10-15(3)20(11-14(18)2)29-25-28-13-19(26)24(31-25)30-22-12-16(4)32-33-22;1-15-10-20(23-7-5-6-8-30(23)4)16(2)9-18(15)12-24-26-14-21(25)22(27-24)13-19-11-17(3)28-29-19;1-14-11-20(15(2)10-18(14)17-4-6-31(7-5-17)8-9-32)26-23-25-13-19(24)22(28-23)27-21-12-16(3)29-30-21;1-12-8-19(34-33-12)31-20-15(23)11-29-21(32-20)30-18-10-16(24)14(9-17(18)25)13-2-5-35(6-3-13)7-4-22(26,27)28/h11-12,14-15,19-20H,5-10,13,16H2,1-4H3,(H2,30,31,32,33,34);10-13,17,21H,5-9H2,1-4H3,(H2,27,35)(H3,28,29,30,31,32,33);9-11,14,23H,5-8,12-13H2,1-4H3,(H,28,29);10-13,17,32H,4-9H2,1-3H3,(H3,25,26,27,28,29,30);8-11,13H,2-7H2,1H3,(H3,29,30,31,32,33,34)/t;;23-;;/m..1../s1
• InChIKey: ICUDONAQSGETHM-WCLZIMLASA-N
• XLogP: 25.27
• TPSA: 456.34 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2415.05
LogP ≤ 5	25.27
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol?

The IUPAC name of 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol (CID 158661266) is 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol.

What is the SMILES notation for 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol?

The canonical SMILES for 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol is CCC(C(N)=O)N1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1.Cc1cc(C2CCN(C(=O)CN(C)C)CC2)c(C)cc1Cc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1.Cc1cc(Cc2nc(Cc3cc(C)c([C@H]4CCCCN4C)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CCO)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(F)c(C4CCN(CCC(F)(F)F)CC4)cc3F)ncc2Cl)n[nH]1.

What is the InChIKey of 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol?

The InChIKey is ICUDONAQSGETHM-WCLZIMLASA-N. The full InChI is InChI=1S/C28H36ClN7O.C25H33ClN8O.C24H30ClN5.C23H30ClN7O.C22H23ClF5N7/c1-17-12-22(19-7-9-36(10-8-19)27(37)16-35(3)4)18(2)11-21(17)13-25-30-15-23(29)28(31-25)32-26-14-24(33-34-26)20-5-6-20;1-5-21(23(27)35)34-8-6-17(7-9-34)18-10-15(3)20(11-14(18)2)29-25-28-13-19(26)24(31-25)30-22-12-16(4)32-33-22;1-15-10-20(23-7-5-6-8-30(23)4)16(2)9-18(15)12-24-26-14-21(25)22(27-24)13-19-11-17(3)28-29-19;1-14-11-20(15(2)10-18(14)17-4-6-31(7-5-17)8-9-32)26-23-25-13-19(24)22(28-23)27-21-12-16(3)29-30-21;1-12-8-19(34-33-12)31-20-15(23)11-29-21(32-20)30-18-10-16(24)14(9-17(18)25)13-2-5-35(6-3-13)7-4-22(26,27)28/h11-12,14-15,19-20H,5-10,13,16H2,1-4H3,(H2,30,31,32,33,34);10-13,17,21H,5-9H2,1-4H3,(H2,27,35)(H3,28,29,30,31,32,33);9-11,14,23H,5-8,12-13H2,1-4H3,(H,28,29);10-13,17,32H,4-9H2,1-3H3,(H3,25,26,27,28,29,30);8-11,13H,2-7H2,1H3,(H3,29,30,31,32,33,34)/t;;23-;;/m..1../s1.

What are the key properties of 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol?

1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol has a molecular weight of 2415.05 g/mol, XLogP of 25.27, 35 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-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-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 158661266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).