acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione

C109H113F4N19O14 — CID 159492416

About acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione

acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione (PubChem CID 159492416) has the molecular formula C109H113F4N19O14 and a molecular weight of 1989.21 g/mol. Its IUPAC name is acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione
• PubChem CID: 159492416
• Molecular Formula: C109H113F4N19O14
• Molecular Weight: 1989.21 g/mol
• Exact Mass: 1987.87
• IUPAC Name: acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione
• SMILES: CC#N.CCCN(Cc1ccc(OC)cc1)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.COc1ccc(CN(CCN2CCN(c3ccc(C(=O)Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)c(NC4CCOCC4)c3)CC2)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.O=C(Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)c1ccc(N2CCNCC2)cc1NC1CCOCC1
• InChI: InChI=1S/C53H53F2N9O7.C30H32F2N6O2.C24H25N3O5.C2H3N/c1-70-40-7-2-32(3-8-40)31-63(38-5-9-41-43(29-38)53(69)64(52(41)68)47-12-13-48(65)57-51(47)67)21-18-61-16-19-62(20-17-61)39-6-10-42(46(30-39)56-37-14-22-71-23-15-37)50(66)58-49-44-27-33(4-11-45(44)59-60-49)24-34-25-35(54)28-36(55)26-34;31-21-14-20(15-22(32)17-21)13-19-1-4-27-26(16-19)29(37-36-27)35-30(39)25-3-2-24(38-9-7-33-8-10-38)18-28(25)34-23-5-11-40-12-6-23;1-3-12-26(14-15-4-7-17(32-2)8-5-15)16-6-9-18-19(13-16)24(31)27(23(18)30)20-10-11-21(28)25-22(20)29;1-2-3/h2-11,25-30,37,47,56H,12-24,31H2,1H3,(H,57,65,67)(H2,58,59,60,66);1-4,14-18,23,33-34H,5-13H2,(H2,35,36,37,39);4-9,13,20H,3,10-12,14H2,1-2H3,(H,25,28,29);1H3
• InChIKey: LYJAILBAXZTKFM-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 395.66 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1989.21
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione?

The IUPAC name of acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione (CID 159492416) is acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione.

What is the SMILES notation for acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione?

The canonical SMILES for acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione is CC#N.CCCN(Cc1ccc(OC)cc1)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.COc1ccc(CN(CCN2CCN(c3ccc(C(=O)Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)c(NC4CCOCC4)c3)CC2)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.O=C(Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)c1ccc(N2CCNCC2)cc1NC1CCOCC1.

What is the InChIKey of acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione?

The InChIKey is LYJAILBAXZTKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H53F2N9O7.C30H32F2N6O2.C24H25N3O5.C2H3N/c1-70-40-7-2-32(3-8-40)31-63(38-5-9-41-43(29-38)53(69)64(52(41)68)47-12-13-48(65)57-51(47)67)21-18-61-16-19-62(20-17-61)39-6-10-42(46(30-39)56-37-14-22-71-23-15-37)50(66)58-49-44-27-33(4-11-45(44)59-60-49)24-34-25-35(54)28-36(55)26-34;31-21-14-20(15-22(32)17-21)13-19-1-4-27-26(16-19)29(37-36-27)35-30(39)25-3-2-24(38-9-7-33-8-10-38)18-28(25)34-23-5-11-40-12-6-23;1-3-12-26(14-15-4-7-17(32-2)8-5-15)16-6-9-18-19(13-16)24(31)27(23(18)30)20-10-11-21(28)25-22(20)29;1-2-3/h2-11,25-30,37,47,56H,12-24,31H2,1H3,(H,57,65,67)(H2,58,59,60,66);1-4,14-18,23,33-34H,5-13H2,(H2,35,36,37,39);4-9,13,20H,3,10-12,14H2,1-2H3,(H,25,28,29);1H3.

What are the key properties of acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione?

acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione has a molecular weight of 1989.21 g/mol, XLogP of 14.24, 29 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione is sourced from PubChem (CID 159492416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).