5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide

C116H123N21O14S4 — CID 159954853

About 5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide

5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide (PubChem CID 159954853) has the molecular formula C116H123N21O14S4 and a molecular weight of 2163.66 g/mol. Its IUPAC name is 5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
• PubChem CID: 159954853
• Molecular Formula: C116H123N21O14S4
• Molecular Weight: 2163.66 g/mol
• Exact Mass: 2161.84
• IUPAC Name: 5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
• SMILES: COc1cccc(NC(=O)c2ccc(-c3ccnc(Nc4ccc(CCN5CCC(O)CC5)cc4)n3)s2)c1.COc1cccc(NC(=O)c2ccc(-c3ccnc(Nc4ccc(OCCCN5CCC(CO)CC5)cc4)n3)s2)c1.COc1cccc(NC(=O)c2ccc(-c3ccnc(Nc4ccc(OCCCN5CCOCC5)cc4)n3)s2)c1.COc1cccc(NC(=O)c2ccc(-c3ccnc(Nc4cccc(N5CCN(C)CC5=O)c4)n3)s2)c1
• InChI: InChI=1S/C31H35N5O4S.C29H31N5O4S.C29H31N5O3S.C27H26N6O3S/c1-39-26-5-2-4-24(20-26)33-30(38)29-11-10-28(41-29)27-12-15-32-31(35-27)34-23-6-8-25(9-7-23)40-19-3-16-36-17-13-22(21-37)14-18-36;1-36-24-5-2-4-22(20-24)31-28(35)27-11-10-26(39-27)25-12-13-30-29(33-25)32-21-6-8-23(9-7-21)38-17-3-14-34-15-18-37-19-16-34;1-37-24-4-2-3-22(19-24)31-28(36)27-10-9-26(38-27)25-11-15-30-29(33-25)32-21-7-5-20(6-8-21)12-16-34-17-13-23(35)14-18-34;1-32-13-14-33(25(34)17-32)20-7-3-5-18(15-20)30-27-28-12-11-22(31-27)23-9-10-24(37-23)26(35)29-19-6-4-8-21(16-19)36-2/h2,4-12,15,20,22,37H,3,13-14,16-19,21H2,1H3,(H,33,38)(H,32,34,35);2,4-13,20H,3,14-19H2,1H3,(H,31,35)(H,30,32,33);2-11,15,19,23,35H,12-14,16-18H2,1H3,(H,31,36)(H,30,32,33);3-12,15-16H,13-14,17H2,1-2H3,(H,29,35)(H,28,30,31)
• InChIKey: OCOUWNMTDVIJOD-UHFFFAOYSA-N
• XLogP: 20.69
• TPSA: 405.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 39
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2163.66
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide?

The IUPAC name of 5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide (CID 159954853) is 5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide is COc1cccc(NC(=O)c2ccc(-c3ccnc(Nc4ccc(CCN5CCC(O)CC5)cc4)n3)s2)c1.COc1cccc(NC(=O)c2ccc(-c3ccnc(Nc4ccc(OCCCN5CCC(CO)CC5)cc4)n3)s2)c1.COc1cccc(NC(=O)c2ccc(-c3ccnc(Nc4ccc(OCCCN5CCOCC5)cc4)n3)s2)c1.COc1cccc(NC(=O)c2ccc(-c3ccnc(Nc4cccc(N5CCN(C)CC5=O)c4)n3)s2)c1.

What is the InChIKey of 5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide?

The InChIKey is OCOUWNMTDVIJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O4S.C29H31N5O4S.C29H31N5O3S.C27H26N6O3S/c1-39-26-5-2-4-24(20-26)33-30(38)29-11-10-28(41-29)27-12-15-32-31(35-27)34-23-6-8-25(9-7-23)40-19-3-16-36-17-13-22(21-37)14-18-36;1-36-24-5-2-4-22(20-24)31-28(35)27-11-10-26(39-27)25-12-13-30-29(33-25)32-21-6-8-23(9-7-21)38-17-3-14-34-15-18-37-19-16-34;1-37-24-4-2-3-22(19-24)31-28(36)27-10-9-26(38-27)25-11-15-30-29(33-25)32-21-7-5-20(6-8-21)12-16-34-17-13-23(35)14-18-34;1-32-13-14-33(25(34)17-32)20-7-3-5-18(15-20)30-27-28-12-11-22(31-27)23-9-10-24(37-23)26(35)29-19-6-4-8-21(16-19)36-2/h2,4-12,15,20,22,37H,3,13-14,16-19,21H2,1H3,(H,33,38)(H,32,34,35);2,4-13,20H,3,14-19H2,1H3,(H,31,35)(H,30,32,33);2-11,15,19,23,35H,12-14,16-18H2,1H3,(H,31,36)(H,30,32,33);3-12,15-16H,13-14,17H2,1-2H3,(H,29,35)(H,28,30,31).

What are the key properties of 5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide?

5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide has a molecular weight of 2163.66 g/mol, XLogP of 20.69, 39 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 159954853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).