5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide

C93H115Cl4F5N30O3 — CID 157188520

About 5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide

5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 157188520) has the molecular formula C93H115Cl4F5N30O3 and a molecular weight of 1937.95 g/mol. Its IUPAC name is 5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide
• PubChem CID: 157188520
• Molecular Formula: C93H115Cl4F5N30O3
• Molecular Weight: 1937.95 g/mol
• Exact Mass: 1934.84
• IUPAC Name: 5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide
• SMILES: CCN1CCC(c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCCCN4C[C@@H](O)C(F)(F)F)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)N(C)C)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)N(C)C)CC4)cc3F)ncc2Cl)n[nH]1
• InChI: InChI=1S/C24H29ClF3N7O.C24H31ClN8O.C23H28ClFN8O.C22H27ClFN7/c1-13-9-18(30-23-29-11-17(25)22(32-23)31-21-10-15(3)33-34-21)14(2)8-16(13)19-6-4-5-7-35(19)12-20(36)24(26,27)28;1-14-11-20(15(2)10-18(14)17-6-8-33(9-7-17)24(34)32(4)5)27-23-26-13-19(25)22(29-23)28-21-12-16(3)30-31-21;1-13-9-19(18(25)11-16(13)15-5-7-33(8-6-15)23(34)32(3)4)27-22-26-12-17(24)21(29-22)28-20-10-14(2)30-31-20;1-4-31-7-5-15(6-8-31)16-11-18(24)19(9-13(16)2)26-22-25-12-17(23)21(28-22)27-20-10-14(3)29-30-20/h8-11,19-20,36H,4-7,12H2,1-3H3,(H3,29,30,31,32,33,34);10-13,17H,6-9H2,1-5H3,(H3,26,27,28,29,30,31);9-12,15H,5-8H2,1-4H3,(H3,26,27,28,29,30,31);9-12,15H,4-8H2,1-3H3,(H3,25,26,27,28,29,30)/t19?,20-;;;/m1.../s1
• InChIKey: APKMVWSNHLGMLE-GCNDFYBQSA-N
• XLogP: 21.10
• TPSA: 387.89 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1937.95
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide?

The IUPAC name of 5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide (CID 157188520) is 5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide.

What is the SMILES notation for 5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide?

The canonical SMILES for 5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide is CCN1CCC(c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCCCN4C[C@@H](O)C(F)(F)F)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)N(C)C)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)N(C)C)CC4)cc3F)ncc2Cl)n[nH]1.

What is the InChIKey of 5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide?

The InChIKey is APKMVWSNHLGMLE-GCNDFYBQSA-N. The full InChI is InChI=1S/C24H29ClF3N7O.C24H31ClN8O.C23H28ClFN8O.C22H27ClFN7/c1-13-9-18(30-23-29-11-17(25)22(32-23)31-21-10-15(3)33-34-21)14(2)8-16(13)19-6-4-5-7-35(19)12-20(36)24(26,27)28;1-14-11-20(15(2)10-18(14)17-6-8-33(9-7-17)24(34)32(4)5)27-23-26-13-19(25)22(29-23)28-21-12-16(3)30-31-21;1-13-9-19(18(25)11-16(13)15-5-7-33(8-6-15)23(34)32(3)4)27-22-26-12-17(24)21(29-22)28-20-10-14(2)30-31-20;1-4-31-7-5-15(6-8-31)16-11-18(24)19(9-13(16)2)26-22-25-12-17(23)21(28-22)27-20-10-14(3)29-30-20/h8-11,19-20,36H,4-7,12H2,1-3H3,(H3,29,30,31,32,33,34);10-13,17H,6-9H2,1-5H3,(H3,26,27,28,29,30,31);9-12,15H,5-8H2,1-4H3,(H3,26,27,28,29,30,31);9-12,15H,4-8H2,1-3H3,(H3,25,26,27,28,29,30)/t19?,20-;;;/m1.../s1.

What are the key properties of 5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide?

5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 1937.95 g/mol, XLogP of 21.10, 23 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 157188520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).