5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide

C151H166F3N27O15S5 — CID 159932705

About 5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide

5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide (PubChem CID 159932705) has the molecular formula C151H166F3N27O15S5 and a molecular weight of 2816.49 g/mol. Its IUPAC name is 5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide
• PubChem CID: 159932705
• Molecular Formula: C151H166F3N27O15S5
• Molecular Weight: 2816.49 g/mol
• Exact Mass: 2814.16
• IUPAC Name: 5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide
• SMILES: COc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CN5CCN(C)CC5)c4)n3)s2)c1.COc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(OCCCN5CCC(CO)CC5)c4)n3)s2)c1.COc1cccc(CNC(=O)c2ccc(-c3nc(Nc4cccc(CCCN5CCN(CCO)CC5)c4)ncc3F)s2)c1.COc1cccc(CNC(=O)c2ccc(-c3nc(Nc4cccc(CCCN5CCOCC5)c4)ncc3F)s2)c1.COc1cccc(CNC(=O)c2ccc(-c3nc(Nc4cccc(CN5CCOCC5)c4)ncc3F)s2)c1
• InChI: InChI=1S/C32H37FN6O3S.C32H37N5O4S.C30H32FN5O3S.C29H32N6O2S.C28H28FN5O3S/c1-42-26-9-3-6-24(20-26)21-34-31(41)29-11-10-28(43-29)30-27(33)22-35-32(37-30)36-25-8-2-5-23(19-25)7-4-12-38-13-15-39(16-14-38)17-18-40;1-40-26-7-2-5-24(19-26)21-34-31(39)30-10-9-29(42-30)28-11-14-33-32(36-28)35-25-6-3-8-27(20-25)41-18-4-15-37-16-12-23(22-38)13-17-37;1-38-24-9-3-6-22(18-24)19-32-29(37)27-11-10-26(40-27)28-25(31)20-33-30(35-28)34-23-8-2-5-21(17-23)7-4-12-36-13-15-39-16-14-36;1-34-13-15-35(16-14-34)20-22-6-3-7-23(17-22)32-29-30-12-11-25(33-29)26-9-10-27(38-26)28(36)31-19-21-5-4-8-24(18-21)37-2;1-36-22-7-3-4-19(15-22)16-30-27(35)25-9-8-24(38-25)26-23(29)17-31-28(33-26)32-21-6-2-5-20(14-21)18-34-10-12-37-13-11-34/h2-3,5-6,8-11,19-20,22,40H,4,7,12-18,21H2,1H3,(H,34,41)(H,35,36,37);2-3,5-11,14,19-20,23,38H,4,12-13,15-18,21-22H2,1H3,(H,34,39)(H,33,35,36);2-3,5-6,8-11,17-18,20H,4,7,12-16,19H2,1H3,(H,32,37)(H,33,34,35);3-12,17-18H,13-16,19-20H2,1-2H3,(H,31,36)(H,30,32,33);2-9,14-15,17H,10-13,16,18H2,1H3,(H,30,35)(H,31,32,33)
• InChIKey: NZVRYJIHQUQMGE-UHFFFAOYSA-N
• XLogP: 24.71
• TPSA: 471.53 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 55
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2816.49
LogP ≤ 5	24.71
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide?

The IUPAC name of 5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide (CID 159932705) is 5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide is COc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CN5CCN(C)CC5)c4)n3)s2)c1.COc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(OCCCN5CCC(CO)CC5)c4)n3)s2)c1.COc1cccc(CNC(=O)c2ccc(-c3nc(Nc4cccc(CCCN5CCN(CCO)CC5)c4)ncc3F)s2)c1.COc1cccc(CNC(=O)c2ccc(-c3nc(Nc4cccc(CCCN5CCOCC5)c4)ncc3F)s2)c1.COc1cccc(CNC(=O)c2ccc(-c3nc(Nc4cccc(CN5CCOCC5)c4)ncc3F)s2)c1.

What is the InChIKey of 5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide?

The InChIKey is NZVRYJIHQUQMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN6O3S.C32H37N5O4S.C30H32FN5O3S.C29H32N6O2S.C28H28FN5O3S/c1-42-26-9-3-6-24(20-26)21-34-31(41)29-11-10-28(43-29)30-27(33)22-35-32(37-30)36-25-8-2-5-23(19-25)7-4-12-38-13-15-39(16-14-38)17-18-40;1-40-26-7-2-5-24(19-26)21-34-31(39)30-10-9-29(42-30)28-11-14-33-32(36-28)35-25-6-3-8-27(20-25)41-18-4-15-37-16-12-23(22-38)13-17-37;1-38-24-9-3-6-22(18-24)19-32-29(37)27-11-10-26(40-27)28-25(31)20-33-30(35-28)34-23-8-2-5-21(17-23)7-4-12-36-13-15-39-16-14-36;1-34-13-15-35(16-14-34)20-22-6-3-7-23(17-22)32-29-30-12-11-25(33-29)26-9-10-27(38-26)28(36)31-19-21-5-4-8-24(18-21)37-2;1-36-22-7-3-4-19(15-22)16-30-27(35)25-9-8-24(38-25)26-23(29)17-31-28(33-26)32-21-6-2-5-20(14-21)18-34-10-12-37-13-11-34/h2-3,5-6,8-11,19-20,22,40H,4,7,12-18,21H2,1H3,(H,34,41)(H,35,36,37);2-3,5-11,14,19-20,23,38H,4,12-13,15-18,21-22H2,1H3,(H,34,39)(H,33,35,36);2-3,5-6,8-11,17-18,20H,4,7,12-16,19H2,1H3,(H,32,37)(H,33,34,35);3-12,17-18H,13-16,19-20H2,1-2H3,(H,31,36)(H,30,32,33);2-9,14-15,17H,10-13,16,18H2,1H3,(H,30,35)(H,31,32,33).

What are the key properties of 5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide?

5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide has a molecular weight of 2816.49 g/mol, XLogP of 24.71, 55 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 159932705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).