2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide

C140H137ClF12N36O7S5 — CID 157206356

About 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide

2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 157206356) has the molecular formula C140H137ClF12N36O7S5 and a molecular weight of 2859.64 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide
• PubChem CID: 157206356
• Molecular Formula: C140H137ClF12N36O7S5
• Molecular Weight: 2859.64 g/mol
• Exact Mass: 2856.96
• IUPAC Name: 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide
• SMILES: COc1cc(N2CCCCC2)ccc1Nc1cc(NCc2ccccc2S(C)(=O)=O)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(NCc2ccccn2)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1.COc1ccc(C)cc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1.Cc1ccc(NC(=O)N2CCCC2)cc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1.FC(F)(F)c1cnc(Nc2ccccc2Cl)cc1Nc1ncsc1-c1ncccn1
• InChI: InChI=1S/C26H32N4O3S.C25H23F3N8OS.C25H24F3N7OS.C24H29N5O.C21H17F3N6OS.C19H12ClF3N6S/c1-19-17-28-26(16-23(19)27-18-20-9-5-6-10-25(20)34(3,31)32)29-22-12-11-21(15-24(22)33-2)30-13-7-4-8-14-30;1-15-5-6-16(33-24(37)36-9-2-3-10-36)11-18(15)34-20-12-19(17(13-31-20)25(26,27)28)35-23-21(38-14-32-23)22-29-7-4-8-30-22;1-36-20-12-16(35-10-3-2-4-11-35)6-7-18(20)33-21-13-19(17(14-31-21)25(26,27)28)34-24-22(37-15-32-24)23-29-8-5-9-30-23;1-18-16-27-24(15-22(18)26-17-19-8-4-5-11-25-19)28-21-10-9-20(14-23(21)30-2)29-12-6-3-7-13-29;1-12-4-5-16(31-2)15(8-12)29-17-9-14(13(10-27-17)21(22,23)24)30-20-18(32-11-28-20)19-25-6-3-7-26-19;20-12-4-1-2-5-13(12)28-15-8-14(11(9-26-15)19(21,22)23)29-18-16(30-10-27-18)17-24-6-3-7-25-17/h5-6,9-12,15-17H,4,7-8,13-14,18H2,1-3H3,(H2,27,28,29);4-8,11-14H,2-3,9-10H2,1H3,(H,33,37)(H2,31,34,35);5-9,12-15H,2-4,10-11H2,1H3,(H2,31,33,34);4-5,8-11,14-16H,3,6-7,12-13,17H2,1-2H3,(H2,26,27,28);3-11H,1-2H3,(H2,27,29,30);1-10H,(H2,26,28,29)
• InChIKey: ARKCZRDQBXZICM-UHFFFAOYSA-N
• XLogP: 35.20
• TPSA: 502.39 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 45
• Rotatable Bonds: 39
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2859.64
LogP ≤ 5	35.20
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide?

The IUPAC name of 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide (CID 157206356) is 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide.

What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide?

The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide is COc1cc(N2CCCCC2)ccc1Nc1cc(NCc2ccccc2S(C)(=O)=O)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(NCc2ccccn2)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1.COc1ccc(C)cc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1.Cc1ccc(NC(=O)N2CCCC2)cc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1.FC(F)(F)c1cnc(Nc2ccccc2Cl)cc1Nc1ncsc1-c1ncccn1.

What is the InChIKey of 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide?

The InChIKey is ARKCZRDQBXZICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S.C25H23F3N8OS.C25H24F3N7OS.C24H29N5O.C21H17F3N6OS.C19H12ClF3N6S/c1-19-17-28-26(16-23(19)27-18-20-9-5-6-10-25(20)34(3,31)32)29-22-12-11-21(15-24(22)33-2)30-13-7-4-8-14-30;1-15-5-6-16(33-24(37)36-9-2-3-10-36)11-18(15)34-20-12-19(17(13-31-20)25(26,27)28)35-23-21(38-14-32-23)22-29-7-4-8-30-22;1-36-20-12-16(35-10-3-2-4-11-35)6-7-18(20)33-21-13-19(17(14-31-21)25(26,27)28)34-24-22(37-15-32-24)23-29-8-5-9-30-23;1-18-16-27-24(15-22(18)26-17-19-8-4-5-11-25-19)28-21-10-9-20(14-23(21)30-2)29-12-6-3-7-13-29;1-12-4-5-16(31-2)15(8-12)29-17-9-14(13(10-27-17)21(22,23)24)30-20-18(32-11-28-20)19-25-6-3-7-26-19;20-12-4-1-2-5-13(12)28-15-8-14(11(9-26-15)19(21,22)23)29-18-16(30-10-27-18)17-24-6-3-7-25-17/h5-6,9-12,15-17H,4,7-8,13-14,18H2,1-3H3,(H2,27,28,29);4-8,11-14H,2-3,9-10H2,1H3,(H,33,37)(H2,31,34,35);5-9,12-15H,2-4,10-11H2,1H3,(H2,31,33,34);4-5,8-11,14-16H,3,6-7,12-13,17H2,1-2H3,(H2,26,27,28);3-11H,1-2H3,(H2,27,29,30);1-10H,(H2,26,28,29).

What are the key properties of 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide?

2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 2859.64 g/mol, XLogP of 35.20, 39 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 157206356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).