N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide

C84H97N19O7S4 — CID 157407647

About N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide

N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide (PubChem CID 157407647) has the molecular formula C84H97N19O7S4 and a molecular weight of 1613.09 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
• PubChem CID: 157407647
• Molecular Formula: C84H97N19O7S4
• Molecular Weight: 1613.09 g/mol
• Exact Mass: 1611.67
• IUPAC Name: N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
• SMILES: CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NCC5CCC(CO)CC5)s4)n3)c2)CC1.CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NCCc5cccc(O)c5)s4)n3)c2)CC1.CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NCc5cccc(NS(C)(=O)=O)c5)s4)n3)c2)CC1
• InChI: InChI=1S/C28H31N7O3S2.C28H30N6O2S.C28H36N6O2S/c1-34-13-15-35(16-14-34)23-8-4-6-21(18-23)31-28-29-12-11-24(32-28)25-9-10-26(39-25)27(36)30-19-20-5-3-7-22(17-20)33-40(2,37)38;1-33-14-16-34(17-15-33)22-6-3-5-21(19-22)31-28-30-13-11-24(32-28)25-8-9-26(37-25)27(36)29-12-10-20-4-2-7-23(35)18-20;1-33-13-15-34(16-14-33)23-4-2-3-22(17-23)31-28-29-12-11-24(32-28)25-9-10-26(37-25)27(36)30-18-20-5-7-21(19-35)8-6-20/h3-12,17-18,33H,13-16,19H2,1-2H3,(H,30,36)(H,29,31,32);2-9,11,13,18-19,35H,10,12,14-17H2,1H3,(H,29,36)(H,30,31,32);2-4,9-12,17,20-21,35H,5-8,13-16,18-19H2,1H3,(H,30,36)(H,29,31,32)
• InChIKey: BNXIXRWCKZRYKW-UHFFFAOYSA-N
• XLogP: 12.61
• TPSA: 306.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1613.09
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide?

The IUPAC name of N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide (CID 157407647) is N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide is CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NCC5CCC(CO)CC5)s4)n3)c2)CC1.CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NCCc5cccc(O)c5)s4)n3)c2)CC1.CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NCc5cccc(NS(C)(=O)=O)c5)s4)n3)c2)CC1.

What is the InChIKey of N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide?

The InChIKey is BNXIXRWCKZRYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O3S2.C28H30N6O2S.C28H36N6O2S/c1-34-13-15-35(16-14-34)23-8-4-6-21(18-23)31-28-29-12-11-24(32-28)25-9-10-26(39-25)27(36)30-19-20-5-3-7-22(17-20)33-40(2,37)38;1-33-14-16-34(17-15-33)22-6-3-5-21(19-22)31-28-30-13-11-24(32-28)25-8-9-26(37-25)27(36)29-12-10-20-4-2-7-23(35)18-20;1-33-13-15-34(16-14-33)23-4-2-3-22(17-23)31-28-29-12-11-24(32-28)25-9-10-26(37-25)27(36)30-18-20-5-7-21(19-35)8-6-20/h3-12,17-18,33H,13-16,19H2,1-2H3,(H,30,36)(H,29,31,32);2-9,11,13,18-19,35H,10,12,14-17H2,1H3,(H,29,36)(H,30,31,32);2-4,9-12,17,20-21,35H,5-8,13-16,18-19H2,1H3,(H,30,36)(H,29,31,32).

What are the key properties of N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide?

N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide has a molecular weight of 1613.09 g/mol, XLogP of 12.61, 25 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 157407647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).