2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone

C143H171F2N27O11S5 — CID 159838630

About 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone

2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone (PubChem CID 159838630) has the molecular formula C143H171F2N27O11S5 and a molecular weight of 2642.45 g/mol. Its IUPAC name is 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone
• PubChem CID: 159838630
• Molecular Formula: C143H171F2N27O11S5
• Molecular Weight: 2642.45 g/mol
• Exact Mass: 2640.22
• IUPAC Name: 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone
• SMILES: CC1(Cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cn2)CCN(C(=O)N2CCC(F)(F)CC2)CC1.CC1(Cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cn2)CCN(C(=O)N2CCC(O)CC2)CC1.CC1(Cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cn2)CCN(C(=O)N2CCNCC2)CC1.CN1CCN(C(=O)N2CCC(C)(Cc3ncc(C(=O)Cc4cc(-c5cccs5)ccc4N)cn3)CC2)CC1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cnc(CC2CCN(C(=O)N3CCCCC3)CC2)nc1
• InChI: InChI=1S/C29H33F2N5O2S.C29H36N6O2S.C29H35N5O3S.C28H34N6O2S.C28H33N5O2S/c1-28(6-10-35(11-7-28)27(38)36-12-8-29(30,31)9-13-36)17-26-33-18-22(19-34-26)24(37)16-21-15-20(4-5-23(21)32)25-3-2-14-39-25;1-29(7-9-34(10-8-29)28(37)35-13-11-33(2)12-14-35)18-27-31-19-23(20-32-27)25(36)17-22-16-21(5-6-24(22)30)26-4-3-15-38-26;1-29(8-12-34(13-9-29)28(37)33-10-6-23(35)7-11-33)17-27-31-18-22(19-32-27)25(36)16-21-15-20(4-5-24(21)30)26-3-2-14-38-26;1-28(6-10-33(11-7-28)27(36)34-12-8-30-9-13-34)17-26-31-18-22(19-32-26)24(35)16-21-15-20(4-5-23(21)29)25-3-2-14-37-25;29-24-7-6-21(26-5-4-14-36-26)16-22(24)17-25(34)23-18-30-27(31-19-23)15-20-8-12-33(13-9-20)28(35)32-10-2-1-3-11-32/h2-5,14-15,18-19H,6-13,16-17,32H2,1H3;3-6,15-16,19-20H,7-14,17-18,30H2,1-2H3;2-5,14-15,18-19,23,35H,6-13,16-17,30H2,1H3;2-5,14-15,18-19,30H,6-13,16-17,29H2,1H3;4-7,14,16,18-20H,1-3,8-13,15,17,29H2
• InChIKey: NOKAEEDDISWWMZ-UHFFFAOYSA-N
• XLogP: 23.32
• TPSA: 497.60 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2642.45
LogP ≤ 5	23.32
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone?

The IUPAC name of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone (CID 159838630) is 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone.

What is the SMILES notation for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone?

The canonical SMILES for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone is CC1(Cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cn2)CCN(C(=O)N2CCC(F)(F)CC2)CC1.CC1(Cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cn2)CCN(C(=O)N2CCC(O)CC2)CC1.CC1(Cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cn2)CCN(C(=O)N2CCNCC2)CC1.CN1CCN(C(=O)N2CCC(C)(Cc3ncc(C(=O)Cc4cc(-c5cccs5)ccc4N)cn3)CC2)CC1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cnc(CC2CCN(C(=O)N3CCCCC3)CC2)nc1.

What is the InChIKey of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone?

The InChIKey is NOKAEEDDISWWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N5O2S.C29H36N6O2S.C29H35N5O3S.C28H34N6O2S.C28H33N5O2S/c1-28(6-10-35(11-7-28)27(38)36-12-8-29(30,31)9-13-36)17-26-33-18-22(19-34-26)24(37)16-21-15-20(4-5-23(21)32)25-3-2-14-39-25;1-29(7-9-34(10-8-29)28(37)35-13-11-33(2)12-14-35)18-27-31-19-23(20-32-27)25(36)17-22-16-21(5-6-24(22)30)26-4-3-15-38-26;1-29(8-12-34(13-9-29)28(37)33-10-6-23(35)7-11-33)17-27-31-18-22(19-32-27)25(36)16-21-15-20(4-5-24(21)30)26-3-2-14-38-26;1-28(6-10-33(11-7-28)27(36)34-12-8-30-9-13-34)17-26-31-18-22(19-32-26)24(35)16-21-15-20(4-5-23(21)29)25-3-2-14-37-25;29-24-7-6-21(26-5-4-14-36-26)16-22(24)17-25(34)23-18-30-27(31-19-23)15-20-8-12-33(13-9-20)28(35)32-10-2-1-3-11-32/h2-5,14-15,18-19H,6-13,16-17,32H2,1H3;3-6,15-16,19-20H,7-14,17-18,30H2,1-2H3;2-5,14-15,18-19,23,35H,6-13,16-17,30H2,1H3;2-5,14-15,18-19,30H,6-13,16-17,29H2,1H3;4-7,14,16,18-20H,1-3,8-13,15,17,29H2.

What are the key properties of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone?

2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone has a molecular weight of 2642.45 g/mol, XLogP of 23.32, 30 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 159838630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).