N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide

C154H180N30O14S5 — CID 159087261

About N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide (PubChem CID 159087261) has the molecular formula C154H180N30O14S5 and a molecular weight of 2835.66 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide
• PubChem CID: 159087261
• Molecular Formula: C154H180N30O14S5
• Molecular Weight: 2835.66 g/mol
• Exact Mass: 2833.29
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide
• SMILES: C#CCNC(=O)c1ccc(-c2ccnc(Nc3cccc(CCCN4CCN(C)CC4)c3)n2)s1.COc1cc(CNC(=O)c2ccc(-c3ccnc(Nc4ccc(CCCN5CCN(CCO)CC5)cc4)n3)s2)cc(OC)c1.COc1cc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCCN5CCN(C)CC5)c4)n3)s2)cc(OC)c1.COc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCCN5CCN(C)CC5)c4)n3)s2)c1.O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccnc(Nc3ccc(CCCN4CCN(CCO)CC4)cc3)n2)s1
• InChI: InChI=1S/C33H40N6O4S.C32H36N6O4S.C32H38N6O3S.C31H36N6O2S.C26H30N6OS/c1-42-27-20-25(21-28(22-27)43-2)23-35-32(41)31-10-9-30(44-31)29-11-12-34-33(37-29)36-26-7-5-24(6-8-26)4-3-13-38-14-16-39(17-15-38)18-19-40;39-19-18-38-16-14-37(15-17-38)13-1-2-23-3-6-25(7-4-23)35-32-33-12-11-26(36-32)29-9-10-30(43-29)31(40)34-21-24-5-8-27-28(20-24)42-22-41-27;1-37-14-16-38(17-15-37)13-5-7-23-6-4-8-25(18-23)35-32-33-12-11-28(36-32)29-9-10-30(42-29)31(39)34-22-24-19-26(40-2)21-27(20-24)41-3;1-36-16-18-37(19-17-36)15-5-8-23-6-3-9-25(20-23)34-31-32-14-13-27(35-31)28-11-12-29(40-28)30(38)33-22-24-7-4-10-26(21-24)39-2;1-3-12-27-25(33)24-10-9-23(34-24)22-11-13-28-26(30-22)29-21-8-4-6-20(19-21)7-5-14-32-17-15-31(2)16-18-32/h5-12,20-22,40H,3-4,13-19,23H2,1-2H3,(H,35,41)(H,34,36,37);3-12,20,39H,1-2,13-19,21-22H2,(H,34,40)(H,33,35,36);4,6,8-12,18-21H,5,7,13-17,22H2,1-3H3,(H,34,39)(H,33,35,36);3-4,6-7,9-14,20-21H,5,8,15-19,22H2,1-2H3,(H,33,38)(H,32,34,35);1,4,6,8-11,13,19H,5,7,12,14-18H2,2H3,(H,27,33)(H,28,29,30)
• InChIKey: KBPFTFLFEZICPX-UHFFFAOYSA-N
• XLogP: 22.22
• TPSA: 472.02 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 44
• Rotatable Bonds: 58
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2835.66
LogP ≤ 5	22.22
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide (CID 159087261) is N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide is C#CCNC(=O)c1ccc(-c2ccnc(Nc3cccc(CCCN4CCN(C)CC4)c3)n2)s1.COc1cc(CNC(=O)c2ccc(-c3ccnc(Nc4ccc(CCCN5CCN(CCO)CC5)cc4)n3)s2)cc(OC)c1.COc1cc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCCN5CCN(C)CC5)c4)n3)s2)cc(OC)c1.COc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCCN5CCN(C)CC5)c4)n3)s2)c1.O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccnc(Nc3ccc(CCCN4CCN(CCO)CC4)cc3)n2)s1.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide?

The InChIKey is KBPFTFLFEZICPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N6O4S.C32H36N6O4S.C32H38N6O3S.C31H36N6O2S.C26H30N6OS/c1-42-27-20-25(21-28(22-27)43-2)23-35-32(41)31-10-9-30(44-31)29-11-12-34-33(37-29)36-26-7-5-24(6-8-26)4-3-13-38-14-16-39(17-15-38)18-19-40;39-19-18-38-16-14-37(15-17-38)13-1-2-23-3-6-25(7-4-23)35-32-33-12-11-26(36-32)29-9-10-30(43-29)31(40)34-21-24-5-8-27-28(20-24)42-22-41-27;1-37-14-16-38(17-15-37)13-5-7-23-6-4-8-25(18-23)35-32-33-12-11-28(36-32)29-9-10-30(42-29)31(39)34-22-24-19-26(40-2)21-27(20-24)41-3;1-36-16-18-37(19-17-36)15-5-8-23-6-3-9-25(20-23)34-31-32-14-13-27(35-31)28-11-12-29(40-28)30(38)33-22-24-7-4-10-26(21-24)39-2;1-3-12-27-25(33)24-10-9-23(34-24)22-11-13-28-26(30-22)29-21-8-4-6-20(19-21)7-5-14-32-17-15-31(2)16-18-32/h5-12,20-22,40H,3-4,13-19,23H2,1-2H3,(H,35,41)(H,34,36,37);3-12,20,39H,1-2,13-19,21-22H2,(H,34,40)(H,33,35,36);4,6,8-12,18-21H,5,7,13-17,22H2,1-3H3,(H,34,39)(H,33,35,36);3-4,6-7,9-14,20-21H,5,8,15-19,22H2,1-2H3,(H,33,38)(H,32,34,35);1,4,6,8-11,13,19H,5,7,12,14-18H2,2H3,(H,27,33)(H,28,29,30).

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide?

N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide has a molecular weight of 2835.66 g/mol, XLogP of 22.22, 58 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide is sourced from PubChem (CID 159087261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).