5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide

C117H135Cl5F13N31O3 — CID 159704915

About 5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide

5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide (PubChem CID 159704915) has the molecular formula C117H135Cl5F13N31O3 and a molecular weight of 2447.82 g/mol. Its IUPAC name is 5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide
• PubChem CID: 159704915
• Molecular Formula: C117H135Cl5F13N31O3
• Molecular Weight: 2447.82 g/mol
• Exact Mass: 2443.96
• IUPAC Name: 5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide
• SMILES: CCC(=O)CN1CCC(c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C(F)(F)F)[nH]n4)n3)cc2C)CC1.Cc1cc(Cc2ncc(Cl)c(Cc3cc(C(F)(F)F)n[nH]3)n2)c(F)cc1C1CCN(CC(N)=O)CC1.Cc1cc(Cc2ncc(Cl)c(Cc3cc(C(F)(F)F)n[nH]3)n2)c(F)cc1C1CCNCC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(C)C)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2ncc(Cl)c(N[C@@H]3CCCCNC3=O)n2)c(F)cc1C1CCN(C)CC1
• InChI: InChI=1S/C24H26ClF4N7O.C24H25ClF4N6O.C24H32ClN7.C23H30ClFN6O.C22H22ClF4N5/c1-3-15(37)12-36-6-4-14(5-7-36)16-9-18(26)19(8-13(16)2)31-23-30-11-17(25)22(33-23)32-21-10-20(34-35-21)24(27,28)29;1-13-6-15(19(26)10-17(13)14-2-4-35(5-3-14)12-22(30)36)7-23-31-11-18(25)20(32-23)8-16-9-21(34-33-16)24(27,28)29;1-14(2)32-8-6-18(7-9-32)19-10-16(4)21(11-15(19)3)27-24-26-13-20(25)23(29-24)28-22-12-17(5)30-31-22;1-14-11-20(18(25)12-16(14)15-6-9-31(2)10-7-15)29-23-27-13-17(24)21(30-23)28-19-5-3-4-8-26-22(19)32;1-12-6-14(18(24)10-16(12)13-2-4-28-5-3-13)7-21-29-11-17(23)19(30-21)8-15-9-20(32-31-15)22(25,26)27/h8-11,14H,3-7,12H2,1-2H3,(H3,30,31,32,33,34,35);6,9-11,14H,2-5,7-8,12H2,1H3,(H2,30,36)(H,33,34);10-14,18H,6-9H2,1-5H3,(H3,26,27,28,29,30,31);11-13,15,19H,3-10H2,1-2H3,(H,26,32)(H2,27,28,29,30);6,9-11,13,28H,2-5,7-8H2,1H3,(H,31,32)/t;;;19-;/m...1./s1
• InChIKey: MYBYNLAJNFPYPI-RHQRFNAWSA-N
• XLogP: 25.16
• TPSA: 430.05 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2447.82
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide?

The IUPAC name of 5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide (CID 159704915) is 5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide.

What is the SMILES notation for 5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide?

The canonical SMILES for 5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide is CCC(=O)CN1CCC(c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C(F)(F)F)[nH]n4)n3)cc2C)CC1.Cc1cc(Cc2ncc(Cl)c(Cc3cc(C(F)(F)F)n[nH]3)n2)c(F)cc1C1CCN(CC(N)=O)CC1.Cc1cc(Cc2ncc(Cl)c(Cc3cc(C(F)(F)F)n[nH]3)n2)c(F)cc1C1CCNCC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(C)C)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2ncc(Cl)c(N[C@@H]3CCCCNC3=O)n2)c(F)cc1C1CCN(C)CC1.

What is the InChIKey of 5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide?

The InChIKey is MYBYNLAJNFPYPI-RHQRFNAWSA-N. The full InChI is InChI=1S/C24H26ClF4N7O.C24H25ClF4N6O.C24H32ClN7.C23H30ClFN6O.C22H22ClF4N5/c1-3-15(37)12-36-6-4-14(5-7-36)16-9-18(26)19(8-13(16)2)31-23-30-11-17(25)22(33-23)32-21-10-20(34-35-21)24(27,28)29;1-13-6-15(19(26)10-17(13)14-2-4-35(5-3-14)12-22(30)36)7-23-31-11-18(25)20(32-23)8-16-9-21(34-33-16)24(27,28)29;1-14(2)32-8-6-18(7-9-32)19-10-16(4)21(11-15(19)3)27-24-26-13-20(25)23(29-24)28-22-12-17(5)30-31-22;1-14-11-20(18(25)12-16(14)15-6-9-31(2)10-7-15)29-23-27-13-17(24)21(30-23)28-19-5-3-4-8-26-22(19)32;1-12-6-14(18(24)10-16(12)13-2-4-28-5-3-13)7-21-29-11-17(23)19(30-21)8-15-9-20(32-31-15)22(25,26)27/h8-11,14H,3-7,12H2,1-2H3,(H3,30,31,32,33,34,35);6,9-11,14H,2-5,7-8,12H2,1H3,(H2,30,36)(H,33,34);10-14,18H,6-9H2,1-5H3,(H3,26,27,28,29,30,31);11-13,15,19H,3-10H2,1-2H3,(H,26,32)(H2,27,28,29,30);6,9-11,13,28H,2-5,7-8H2,1H3,(H,31,32)/t;;;19-;/m...1./s1.

What are the key properties of 5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide?

5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide has a molecular weight of 2447.82 g/mol, XLogP of 25.16, 31 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 159704915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).