2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide

C126H156N28O8S4 — CID 159381751

About 2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide

2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide (PubChem CID 159381751) has the molecular formula C126H156N28O8S4 and a molecular weight of 2319.09 g/mol. Its IUPAC name is 2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 159381751
• Molecular Formula: C126H156N28O8S4
• Molecular Weight: 2319.09 g/mol
• Exact Mass: 2317.15
• IUPAC Name: 2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
• SMILES: CC(C)Cc1nc(NC2CCCCC2)cc(C(=O)Nc2ccccc2-c2nc3cc(COC4CCNCC4)cnc3s2)n1.CCCCc1nc(NC2CCCCC2)cc(C(=O)Nc2ccccc2-c2nc3cc(COC4CCNCC4)cnc3s2)n1.CCCCc1nc(NCCNC)cc(C(=O)Nc2ccccc2-c2nc3cc(COC4CCNCC4)cnc3s2)n1.CN(C)CCNCc1cccc(C(=O)Nc2ccccc2-c2nc3cc(COC4CCNCC4)cnc3s2)c1
• InChI: InChI=1S/2C33H41N7O2S.C30H38N8O2S.C30H36N6O2S/c1-21(2)16-29-37-27(18-30(40-29)36-23-8-4-3-5-9-23)31(41)38-26-11-7-6-10-25(26)32-39-28-17-22(19-35-33(28)43-32)20-42-24-12-14-34-15-13-24;1-2-3-13-29-37-27(19-30(40-29)36-23-9-5-4-6-10-23)31(41)38-26-12-8-7-11-25(26)32-39-28-18-22(20-35-33(28)43-32)21-42-24-14-16-34-17-15-24;1-3-4-9-26-35-24(17-27(38-26)33-15-14-31-2)28(39)36-23-8-6-5-7-22(23)29-37-25-16-20(18-34-30(25)41-29)19-40-21-10-12-32-13-11-21;1-36(2)15-14-32-18-21-6-5-7-23(16-21)28(37)34-26-9-4-3-8-25(26)29-35-27-17-22(19-33-30(27)39-29)20-38-24-10-12-31-13-11-24/h6-7,10-11,17-19,21,23-24,34H,3-5,8-9,12-16,20H2,1-2H3,(H,38,41)(H,36,37,40);7-8,11-12,18-20,23-24,34H,2-6,9-10,13-17,21H2,1H3,(H,38,41)(H,36,37,40);5-8,16-18,21,31-32H,3-4,9-15,19H2,1-2H3,(H,36,39)(H,33,35,38);3-9,16-17,19,24,31-32H,10-15,18,20H2,1-2H3,(H,34,37)
• InChIKey: LKZOYTFPTJCMAN-UHFFFAOYSA-N
• XLogP: 22.54
• TPSA: 445.29 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 45
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2319.09
LogP ≤ 5	22.54
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide?

The IUPAC name of 2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide (CID 159381751) is 2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide.

What is the SMILES notation for 2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide?

The canonical SMILES for 2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide is CC(C)Cc1nc(NC2CCCCC2)cc(C(=O)Nc2ccccc2-c2nc3cc(COC4CCNCC4)cnc3s2)n1.CCCCc1nc(NC2CCCCC2)cc(C(=O)Nc2ccccc2-c2nc3cc(COC4CCNCC4)cnc3s2)n1.CCCCc1nc(NCCNC)cc(C(=O)Nc2ccccc2-c2nc3cc(COC4CCNCC4)cnc3s2)n1.CN(C)CCNCc1cccc(C(=O)Nc2ccccc2-c2nc3cc(COC4CCNCC4)cnc3s2)c1.

What is the InChIKey of 2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide?

The InChIKey is LKZOYTFPTJCMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H41N7O2S.C30H38N8O2S.C30H36N6O2S/c1-21(2)16-29-37-27(18-30(40-29)36-23-8-4-3-5-9-23)31(41)38-26-11-7-6-10-25(26)32-39-28-17-22(19-35-33(28)43-32)20-42-24-12-14-34-15-13-24;1-2-3-13-29-37-27(19-30(40-29)36-23-9-5-4-6-10-23)31(41)38-26-12-8-7-11-25(26)32-39-28-18-22(20-35-33(28)43-32)21-42-24-14-16-34-17-15-24;1-3-4-9-26-35-24(17-27(38-26)33-15-14-31-2)28(39)36-23-8-6-5-7-22(23)29-37-25-16-20(18-34-30(25)41-29)19-40-21-10-12-32-13-11-21;1-36(2)15-14-32-18-21-6-5-7-23(16-21)28(37)34-26-9-4-3-8-25(26)29-35-27-17-22(19-33-30(27)39-29)20-38-24-10-12-31-13-11-24/h6-7,10-11,17-19,21,23-24,34H,3-5,8-9,12-16,20H2,1-2H3,(H,38,41)(H,36,37,40);7-8,11-12,18-20,23-24,34H,2-6,9-10,13-17,21H2,1H3,(H,38,41)(H,36,37,40);5-8,16-18,21,31-32H,3-4,9-15,19H2,1-2H3,(H,36,39)(H,33,35,38);3-9,16-17,19,24,31-32H,10-15,18,20H2,1-2H3,(H,34,37).

What are the key properties of 2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide?

2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide has a molecular weight of 2319.09 g/mol, XLogP of 22.54, 45 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 159381751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).