N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide

C154H166F6N24O14 — CID 167569458

About N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide

N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide (PubChem CID 167569458) has the molecular formula C154H166F6N24O14 and a molecular weight of 2691.16 g/mol. Its IUPAC name is N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide
• PubChem CID: 167569458
• Molecular Formula: C154H166F6N24O14
• Molecular Weight: 2691.16 g/mol
• Exact Mass: 2689.29
• IUPAC Name: N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide
• SMILES: C=C1CCN(c2ccc(OC3CCN(CCN4CCN(Cc5ccc(-c6cc7c(-c8cc(F)cc(NC(=O)c9ccc(C(C)(C)O)cc9F)c8C)ncnc7[nH]6)cc5)CC4)CC3)cc2)C(=O)N1.C=C1CCN(c2ccc(OC3CCN(CCNCc4ccc(-c5cc6c(-c7cc(F)cc(NC(=O)c8ccc(C(C)(C)O)cc8F)c7C)ncnc6[nH]5)cc4)CC3)cc2)C(=O)N1.Cc1cc(OCCN2CCC(OC3CCN(Cc4ccc(-c5cc6c(-c7cc(F)cc(NC(=O)c8ccc(C(C)(C)O)cc8F)c7C)ncnc6[nH]5)cc4)CC3)CC2)ccc1N1CCC(=O)CC1=O
• InChI: InChI=1S/C54H59F2N7O6.C52H57F2N9O4.C48H50F2N8O4/c1-33-25-42(10-12-49(33)63-22-13-39(64)29-50(63)65)68-24-23-61-18-14-40(15-19-61)69-41-16-20-62(21-17-41)31-35-5-7-36(8-6-35)48-30-45-51(57-32-58-52(45)59-48)44-27-38(55)28-47(34(44)2)60-53(66)43-11-9-37(26-46(43)56)54(3,4)67;1-33-15-20-63(51(65)57-33)39-10-12-40(13-11-39)67-41-16-18-60(19-17-41)21-22-61-23-25-62(26-24-61)31-35-5-7-36(8-6-35)47-30-44-48(55-32-56-49(44)58-47)43-28-38(53)29-46(34(43)2)59-50(64)42-14-9-37(27-45(42)54)52(3,4)66;1-29-15-21-58(47(60)54-29)35-10-12-36(13-11-35)62-37-16-19-57(20-17-37)22-18-51-27-31-5-7-32(8-6-31)43-26-40-44(52-28-53-45(40)55-43)39-24-34(49)25-42(30(39)2)56-46(59)38-14-9-33(23-41(38)50)48(3,4)61/h5-12,25-28,30,32,40-41,67H,13-24,29,31H2,1-4H3,(H,60,66)(H,57,58,59);5-14,27-30,32,41,66H,1,15-26,31H2,2-4H3,(H,57,65)(H,59,64)(H,55,56,58);5-14,23-26,28,37,51,61H,1,15-22,27H2,2-4H3,(H,54,60)(H,56,59)(H,52,53,55)
• InChIKey: FSDOARVEXMFTNA-UHFFFAOYSA-N
• XLogP: 25.76
• TPSA: 443.15 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 40
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2691.16
LogP ≤ 5	25.76
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide?

The IUPAC name of N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide (CID 167569458) is N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide.

What is the SMILES notation for N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide?

The canonical SMILES for N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide is C=C1CCN(c2ccc(OC3CCN(CCN4CCN(Cc5ccc(-c6cc7c(-c8cc(F)cc(NC(=O)c9ccc(C(C)(C)O)cc9F)c8C)ncnc7[nH]6)cc5)CC4)CC3)cc2)C(=O)N1.C=C1CCN(c2ccc(OC3CCN(CCNCc4ccc(-c5cc6c(-c7cc(F)cc(NC(=O)c8ccc(C(C)(C)O)cc8F)c7C)ncnc6[nH]5)cc4)CC3)cc2)C(=O)N1.Cc1cc(OCCN2CCC(OC3CCN(Cc4ccc(-c5cc6c(-c7cc(F)cc(NC(=O)c8ccc(C(C)(C)O)cc8F)c7C)ncnc6[nH]5)cc4)CC3)CC2)ccc1N1CCC(=O)CC1=O.

What is the InChIKey of N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide?

The InChIKey is FSDOARVEXMFTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H59F2N7O6.C52H57F2N9O4.C48H50F2N8O4/c1-33-25-42(10-12-49(33)63-22-13-39(64)29-50(63)65)68-24-23-61-18-14-40(15-19-61)69-41-16-20-62(21-17-41)31-35-5-7-36(8-6-35)48-30-45-51(57-32-58-52(45)59-48)44-27-38(55)28-47(34(44)2)60-53(66)43-11-9-37(26-46(43)56)54(3,4)67;1-33-15-20-63(51(65)57-33)39-10-12-40(13-11-39)67-41-16-18-60(19-17-41)21-22-61-23-25-62(26-24-61)31-35-5-7-36(8-6-35)47-30-44-48(55-32-56-49(44)58-47)43-28-38(53)29-46(34(43)2)59-50(64)42-14-9-37(27-45(42)54)52(3,4)66;1-29-15-21-58(47(60)54-29)35-10-12-36(13-11-35)62-37-16-19-57(20-17-37)22-18-51-27-31-5-7-32(8-6-31)43-26-40-44(52-28-53-45(40)55-43)39-24-34(49)25-42(30(39)2)56-46(59)38-14-9-33(23-41(38)50)48(3,4)61/h5-12,25-28,30,32,40-41,67H,13-24,29,31H2,1-4H3,(H,60,66)(H,57,58,59);5-14,27-30,32,41,66H,1,15-26,31H2,2-4H3,(H,57,65)(H,59,64)(H,55,56,58);5-14,23-26,28,37,51,61H,1,15-22,27H2,2-4H3,(H,54,60)(H,56,59)(H,52,53,55).

What are the key properties of N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide?

N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide has a molecular weight of 2691.16 g/mol, XLogP of 25.76, 40 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxopiperidin-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[4-[2-[4-[4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 167569458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).