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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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

C157H169F6N21O14 — CID 167537507

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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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 167537507) has the molecular formula C157H169F6N21O14 and a molecular weight of 2688.20 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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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: 167537507
• Molecular Formula: C157H169F6N21O14
• Molecular Weight: 2688.20 g/mol
• Exact Mass: 2686.31
• 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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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(CCCCc4ccc(-c5cc6c(-c7cc(F)cc(NC(=O)c8ccc(C(C)(C)O)cc8F)c7C)ncnc6[nH]5)cc4)CC3)cc2)C(=O)C1.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)C1.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.C53H58F2N8O4.C50H52F2N6O4/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;1-34-15-20-63(49(64)27-34)40-10-12-41(13-11-40)67-42-16-18-60(19-17-42)21-22-61-23-25-62(26-24-61)32-36-5-7-37(8-6-36)48-31-45-50(56-33-57-51(45)58-48)44-29-39(54)30-47(35(44)2)59-52(65)43-14-9-38(28-46(43)55)53(3,4)66;1-31-18-24-58(46(59)25-31)37-13-15-38(16-14-37)62-39-19-22-57(23-20-39)21-6-5-7-33-8-10-34(11-9-33)45-29-42-47(53-30-54-48(42)55-45)41-27-36(51)28-44(32(41)2)56-49(60)40-17-12-35(26-43(40)52)50(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);5-14,28-31,33,42,66H,1,15-27,32H2,2-4H3,(H,59,65)(H,56,57,58);8-17,26-30,39,61H,1,5-7,18-25H2,2-4H3,(H,56,60)(H,53,54,55)
• InChIKey: ASYPPVOTJUGZCW-UHFFFAOYSA-N
• XLogP: 27.50
• TPSA: 407.06 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 40
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2688.20
LogP ≤ 5	27.50
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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 167537507) 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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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(CCCCc4ccc(-c5cc6c(-c7cc(F)cc(NC(=O)c8ccc(C(C)(C)O)cc8F)c7C)ncnc6[nH]5)cc4)CC3)cc2)C(=O)C1.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)C1.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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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 ASYPPVOTJUGZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H59F2N7O6.C53H58F2N8O4.C50H52F2N6O4/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;1-34-15-20-63(49(64)27-34)40-10-12-41(13-11-40)67-42-16-18-60(19-17-42)21-22-61-23-25-62(26-24-61)32-36-5-7-37(8-6-36)48-31-45-50(56-33-57-51(45)58-48)44-29-39(54)30-47(35(44)2)59-52(65)43-14-9-38(28-46(43)55)53(3,4)66;1-31-18-24-58(46(59)25-31)37-13-15-38(16-14-37)62-39-19-22-57(23-20-39)21-6-5-7-33-8-10-34(11-9-33)45-29-42-47(53-30-54-48(42)55-45)41-27-36(51)28-44(32(41)2)56-49(60)40-17-12-35(26-43(40)52)50(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);5-14,28-31,33,42,66H,1,15-27,32H2,2-4H3,(H,59,65)(H,56,57,58);8-17,26-30,39,61H,1,5-7,18-25H2,2-4H3,(H,56,60)(H,53,54,55).

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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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 2688.20 g/mol, XLogP of 27.50, 40 rotatable bonds, 9 hydrogen bond donors, and 26 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-[4-[4-[4-(4-methylidene-2-oxopiperidin-1-yl)phenoxy]piperidin-1-yl]butyl]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-oxopiperidin-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 167537507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).