5-chloro-2-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone

C127H152Cl5F5N36O4S — CID 159938997

About 5-chloro-2-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone

5-chloro-2-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone (PubChem CID 159938997) has the molecular formula C127H152Cl5F5N36O4S and a molecular weight of 2551.18 g/mol. Its IUPAC name is 5-chloro-2-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

• Compound Name: 5-chloro-2-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone
• PubChem CID: 159938997
• Molecular Formula: C127H152Cl5F5N36O4S
• Molecular Weight: 2551.18 g/mol
• Exact Mass: 2547.09
• IUPAC Name: 5-chloro-2-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone
• SMILES: CC1=CC(Nc2nc(Nc3cc(C)c(C4CCN(c5ccc(C)nn5)CC4)cc3F)ncc2Cl)=NC1.Cc1cc(Cc2nc(Cc3cc(C)c([C@H]4CCN[C@H](C)C4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)C5CCCC5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(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/C26H34ClFN8O2S.C26H32ClFN8O.C26H28ClFN8.C26H31ClFN7O.C23H27ClFN5/c1-16-12-23(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;1-15-11-22(31-26-30-14-20(27)24(33-26)32-23-12-16(2)34-35-23)21(28)13-19(15)17-5-9-36(10-6-17)25(37)18-3-7-29-8-4-18;1-15-10-23(29-13-15)32-25-20(27)14-30-26(33-25)31-22-11-16(2)19(12-21(22)28)18-6-8-36(9-7-18)24-5-4-17(3)34-35-24;1-15-11-22(30-26-29-14-20(27)24(32-26)31-23-12-16(2)33-34-23)21(28)13-19(15)17-7-9-35(10-8-17)25(36)18-5-3-4-6-18;1-13-6-17(21(25)11-19(13)16-4-5-26-14(2)7-16)9-23-27-12-20(24)22(28-23)10-18-8-15(3)29-30-18/h12-15,18-19H,4-11H2,1-3H3,(H3,29,30,31,32,33,34);11-14,17-18,29H,3-10H2,1-2H3,(H3,30,31,32,33,34,35);4-5,10-12,14,18H,6-9,13H2,1-3H3,(H2,29,30,31,32,33);11-14,17-18H,3-10H2,1-2H3,(H3,29,30,31,32,33,34);6,8,11-12,14,16,26H,4-5,7,9-10H2,1-3H3,(H,29,30)/t;;;;14-,16+/m....1/s1
• InChIKey: OAPYQJLKCZPWPG-BMCVTGFUSA-N
• XLogP: 25.71
• TPSA: 486.54 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 33
• Rotatable Bonds: 29
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2551.18
LogP ≤ 5	25.71
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone?

The IUPAC name of 5-chloro-2-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone (CID 159938997) is 5-chloro-2-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone.

What is the SMILES notation for 5-chloro-2-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone?

The canonical SMILES for 5-chloro-2-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone is CC1=CC(Nc2nc(Nc3cc(C)c(C4CCN(c5ccc(C)nn5)CC4)cc3F)ncc2Cl)=NC1.Cc1cc(Cc2nc(Cc3cc(C)c([C@H]4CCN[C@H](C)C4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)C5CCCC5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(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-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone?

The InChIKey is OAPYQJLKCZPWPG-BMCVTGFUSA-N. The full InChI is InChI=1S/C26H34ClFN8O2S.C26H32ClFN8O.C26H28ClFN8.C26H31ClFN7O.C23H27ClFN5/c1-16-12-23(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;1-15-11-22(31-26-30-14-20(27)24(33-26)32-23-12-16(2)34-35-23)21(28)13-19(15)17-5-9-36(10-6-17)25(37)18-3-7-29-8-4-18;1-15-10-23(29-13-15)32-25-20(27)14-30-26(33-25)31-22-11-16(2)19(12-21(22)28)18-6-8-36(9-7-18)24-5-4-17(3)34-35-24;1-15-11-22(30-26-29-14-20(27)24(32-26)31-23-12-16(2)33-34-23)21(28)13-19(15)17-7-9-35(10-8-17)25(36)18-5-3-4-6-18;1-13-6-17(21(25)11-19(13)16-4-5-26-14(2)7-16)9-23-27-12-20(24)22(28-23)10-18-8-15(3)29-30-18/h12-15,18-19H,4-11H2,1-3H3,(H3,29,30,31,32,33,34);11-14,17-18,29H,3-10H2,1-2H3,(H3,30,31,32,33,34,35);4-5,10-12,14,18H,6-9,13H2,1-3H3,(H2,29,30,31,32,33);11-14,17-18H,3-10H2,1-2H3,(H3,29,30,31,32,33,34);6,8,11-12,14,16,26H,4-5,7,9-10H2,1-3H3,(H,29,30)/t;;;;14-,16+/m....1/s1.

What are the key properties of 5-chloro-2-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone?

5-chloro-2-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 2551.18 g/mol, XLogP of 25.71, 29 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[[2-fluoro-5-methyl-4-[(2R,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine;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;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-cyclopentylmethanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 159938997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).