5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone

C108H135Cl4F4N29O5S — CID 162262329

About 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone

5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone (PubChem CID 162262329) has the molecular formula C108H135Cl4F4N29O5S and a molecular weight of 2169.34 g/mol. Its IUPAC name is 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

• Compound Name: 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone
• PubChem CID: 162262329
• Molecular Formula: C108H135Cl4F4N29O5S
• Molecular Weight: 2169.34 g/mol
• Exact Mass: 2165.96
• IUPAC Name: 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone
• SMILES: CC(=O)N1CCC(C(=O)N2CCC(c3cc(F)c(Cc4ncc(Cl)c(Nc5cc(C)[nH]n5)n4)cc3C)CC2)CC1.Cc1cc(Cc2nc(Nc3cc(C)c(C4CCN(C5CCNCC5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)C5CCNCC5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C5CCN(S(C)(=O)=O)CC5)CC4)cc3F)ncc2Cl)n[nH]1
• InChI: InChI=1S/C29H35ClFN7O2.C27H33ClFN7O.C26H34ClFN8O2S.C26H33ClFN7/c1-17-12-22(14-26-32-16-24(30)28(33-26)34-27-13-18(2)35-36-27)25(31)15-23(17)20-4-10-38(11-5-20)29(40)21-6-8-37(9-7-21)19(3)39;1-16-11-20(13-24-31-15-22(28)26(32-24)33-25-12-17(2)34-35-25)23(29)14-21(16)18-5-9-36(10-6-18)27(37)19-3-7-30-8-4-19;1-16-12-23(30-26-29-15-21(27)25(32-26)31-24-13-17(2)33-34-24)22(28)14-20(16)18-4-8-35(9-5-18)19-6-10-36(11-7-19)39(3,37)38;1-16-11-25(32-26-30-15-22(27)24(31-26)13-19-12-17(2)33-34-19)23(28)14-21(16)18-5-9-35(10-6-18)20-3-7-29-8-4-20/h12-13,15-16,20-21H,4-11,14H2,1-3H3,(H2,32,33,34,35,36);11-12,14-15,18-19,30H,3-10,13H2,1-2H3,(H2,31,32,33,34,35);12-15,18-19H,4-11H2,1-3H3,(H3,29,30,31,32,33,34);11-12,14-15,18,20,29H,3-10,13H2,1-2H3,(H,33,34)(H,30,31,32)
• InChIKey: ZZKOTHQEZOOATH-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 406.84 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2169.34
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone?

The IUPAC name of 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone (CID 162262329) is 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone.

What is the SMILES notation for 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone?

The canonical SMILES for 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone is CC(=O)N1CCC(C(=O)N2CCC(c3cc(F)c(Cc4ncc(Cl)c(Nc5cc(C)[nH]n5)n4)cc3C)CC2)CC1.Cc1cc(Cc2nc(Nc3cc(C)c(C4CCN(C5CCNCC5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)C5CCNCC5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C5CCN(S(C)(=O)=O)CC5)CC4)cc3F)ncc2Cl)n[nH]1.

What is the InChIKey of 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone?

The InChIKey is ZZKOTHQEZOOATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClFN7O2.C27H33ClFN7O.C26H34ClFN8O2S.C26H33ClFN7/c1-17-12-22(14-26-32-16-24(30)28(33-26)34-27-13-18(2)35-36-27)25(31)15-23(17)20-4-10-38(11-5-20)29(40)21-6-8-37(9-7-21)19(3)39;1-16-11-20(13-24-31-15-22(28)26(32-24)33-25-12-17(2)34-35-25)23(29)14-21(16)18-5-9-36(10-6-18)27(37)19-3-7-30-8-4-19;1-16-12-23(30-26-29-15-21(27)25(32-26)31-24-13-17(2)33-34-24)22(28)14-20(16)18-4-8-35(9-5-18)19-6-10-36(11-7-19)39(3,37)38;1-16-11-25(32-26-30-15-22(27)24(31-26)13-19-12-17(2)33-34-19)23(28)14-21(16)18-5-9-35(10-6-18)20-3-7-29-8-4-20/h12-13,15-16,20-21H,4-11,14H2,1-3H3,(H2,32,33,34,35,36);11-12,14-15,18-19,30H,3-10,13H2,1-2H3,(H2,31,32,33,34,35);12-15,18-19H,4-11H2,1-3H3,(H3,29,30,31,32,33,34);11-12,14-15,18,20,29H,3-10,13H2,1-2H3,(H,33,34)(H,30,31,32).

What are the key properties of 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone?

5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 2169.34 g/mol, XLogP of 19.13, 25 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-N-[2-fluoro-5-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;1-[4-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 162262329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).