4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide

C128H130F12N30O12S8 — CID 159710940

About 4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide

4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;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 159710940) has the molecular formula C128H130F12N30O12S8 and a molecular weight of 2765.16 g/mol. Its IUPAC name is 4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;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: 4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;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: 159710940
• Molecular Formula: C128H130F12N30O12S8
• Molecular Weight: 2765.16 g/mol
• Exact Mass: 2762.81
• IUPAC Name: 4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;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: CCN(C)c1ncccc1CNc1cc(Nc2ccc(N3CCCCC3)cc2OC)ncc1C.COC(=O)c1ncsc1Nc1cc(Nc2cc(C)ccc2OC)ncc1C(F)(F)F.COC(=O)c1sc(SC)nc1Nc1cc(Nc2cc(C)ccc2OC)ncc1C(F)(F)F.COC(=O)c1sc(SC)nc1Nc1cc(Nc2ccccc2)ncc1C(F)(F)F.CSc1nc(Nc2cc(Nc3ccccc3C)ncc2C)c(COC=O)s1.Cc1ccc(NC(=O)N2CCCC2)cc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1
• InChI: InChI=1S/C27H36N6O.C25H23F3N8OS.C20H19F3N4O3S2.C19H17F3N4O3S.C19H20N4O2S2.C18H15F3N4O2S2/c1-5-32(3)27-21(10-9-13-28-27)19-29-24-17-26(30-18-20(24)2)31-23-12-11-22(16-25(23)34-4)33-14-7-6-8-15-33;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;1-10-5-6-14(29-2)13(7-10)25-15-8-12(11(9-24-15)20(21,22)23)26-17-16(18(28)30-3)32-19(27-17)31-4;1-10-4-5-14(28-2)13(6-10)25-15-7-12(11(8-23-15)19(20,21)22)26-17-16(18(27)29-3)24-9-30-17;1-12-6-4-5-7-14(12)21-17-8-15(13(2)9-20-17)22-18-16(10-25-11-24)27-19(23-18)26-3;1-27-16(26)14-15(25-17(28-2)29-14)24-12-8-13(22-9-11(12)18(19,20)21)23-10-6-4-3-5-7-10/h9-13,16-18H,5-8,14-15,19H2,1-4H3,(H2,29,30,31);4-8,11-14H,2-3,9-10H2,1H3,(H,33,37)(H2,31,34,35);5-9H,1-4H3,(H2,24,25,26);4-9H,1-3H3,(H2,23,25,26);4-9,11H,10H2,1-3H3,(H2,20,21,22);3-9H,1-2H3,(H2,22,23,24)
• InChIKey: MYVFJHNQBNWKPI-UHFFFAOYSA-N
• XLogP: 33.64
• TPSA: 496.53 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 48
• Rotatable Bonds: 42
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2765.16
LogP ≤ 5	33.64
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;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 4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;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 159710940) is 4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;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 4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;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 4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;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 CCN(C)c1ncccc1CNc1cc(Nc2ccc(N3CCCCC3)cc2OC)ncc1C.COC(=O)c1ncsc1Nc1cc(Nc2cc(C)ccc2OC)ncc1C(F)(F)F.COC(=O)c1sc(SC)nc1Nc1cc(Nc2cc(C)ccc2OC)ncc1C(F)(F)F.COC(=O)c1sc(SC)nc1Nc1cc(Nc2ccccc2)ncc1C(F)(F)F.CSc1nc(Nc2cc(Nc3ccccc3C)ncc2C)c(COC=O)s1.Cc1ccc(NC(=O)N2CCCC2)cc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1.

What is the InChIKey of 4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;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 MYVFJHNQBNWKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O.C25H23F3N8OS.C20H19F3N4O3S2.C19H17F3N4O3S.C19H20N4O2S2.C18H15F3N4O2S2/c1-5-32(3)27-21(10-9-13-28-27)19-29-24-17-26(30-18-20(24)2)31-23-12-11-22(16-25(23)34-4)33-14-7-6-8-15-33;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;1-10-5-6-14(29-2)13(7-10)25-15-8-12(11(9-24-15)20(21,22)23)26-17-16(18(28)30-3)32-19(27-17)31-4;1-10-4-5-14(28-2)13(6-10)25-15-7-12(11(8-23-15)19(20,21)22)26-17-16(18(27)29-3)24-9-30-17;1-12-6-4-5-7-14(12)21-17-8-15(13(2)9-20-17)22-18-16(10-25-11-24)27-19(23-18)26-3;1-27-16(26)14-15(25-17(28-2)29-14)24-12-8-13(22-9-11(12)18(19,20)21)23-10-6-4-3-5-7-10/h9-13,16-18H,5-8,14-15,19H2,1-4H3,(H2,29,30,31);4-8,11-14H,2-3,9-10H2,1H3,(H,33,37)(H2,31,34,35);5-9H,1-4H3,(H2,24,25,26);4-9H,1-3H3,(H2,23,25,26);4-9,11H,10H2,1-3H3,(H2,20,21,22);3-9H,1-2H3,(H2,22,23,24).

What are the key properties of 4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;N-[4-methyl-3-[[4-[(5-pyrimidin-2-yl-1,3-thiazol-4-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide?

4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;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 2765.16 g/mol, XLogP of 33.64, 42 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[[2-[ethyl(methyl)amino]-3-pyridinyl]methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 4-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate;methyl 5-[[2-(2-methoxy-5-methylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate;[4-[[5-methyl-2-(2-methylanilino)-4-pyridinyl]amino]-2-methylsulfanyl-1,3-thiazol-5-yl]methyl formate;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 159710940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).