N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione

C104H114F4N16O15 — CID 161387677

About N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione

N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione (PubChem CID 161387677) has the molecular formula C104H114F4N16O15 and a molecular weight of 1904.14 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione.

Molecular Properties

• Compound Name: N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione
• PubChem CID: 161387677
• Molecular Formula: C104H114F4N16O15
• Molecular Weight: 1904.14 g/mol
• Exact Mass: 1902.86
• IUPAC Name: N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione
• SMILES: CCCCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1)NCCCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)CN1CCN(c2ccc(C(=O)CC3=NCc4ccc(Cc5cc(F)cc(F)c5)cc43)c(CC3CCOCC3)c2)CC1
• InChI: InChI=1S/C50H54F2N10O7.C35H37F2N3O4.C19H23N3O4/c51-32-23-31(24-33(52)26-32)22-30-4-9-41-40(25-30)46(59-58-41)57-47(65)38-8-6-36(28-42(38)55-34-12-20-69-21-13-34)61-18-16-60(17-19-61)29-45(64)54-15-3-1-2-14-53-35-5-7-37-39(27-35)50(68)62(49(37)67)43-10-11-44(63)56-48(43)66;36-28-15-25(16-29(37)19-28)13-24-1-2-26-21-38-33(32(26)17-24)20-34(41)31-4-3-30(18-27(31)14-23-5-11-44-12-6-23)40-9-7-39(8-10-40)22-35(42)43;1-2-3-4-5-10-20-12-6-7-13-14(11-12)19(26)22(18(13)25)15-8-9-16(23)21-17(15)24/h4-9,23-28,34,43,53,55H,1-3,10-22,29H2,(H,54,64)(H,56,63,66)(H2,57,58,59,65);1-4,15-19,23H,5-14,20-22H2,(H,42,43);6-7,11,15,20H,2-5,8-10H2,1H3,(H,21,23,24)
• InChIKey: VSOKGKDLQISEQL-UHFFFAOYSA-N
• XLogP: 12.58
• TPSA: 388.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 34
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1904.14
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione?

The IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione (CID 161387677) is N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione.

What is the SMILES notation for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione?

The canonical SMILES for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione is CCCCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1)NCCCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)CN1CCN(c2ccc(C(=O)CC3=NCc4ccc(Cc5cc(F)cc(F)c5)cc43)c(CC3CCOCC3)c2)CC1.

What is the InChIKey of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione?

The InChIKey is VSOKGKDLQISEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H54F2N10O7.C35H37F2N3O4.C19H23N3O4/c51-32-23-31(24-33(52)26-32)22-30-4-9-41-40(25-30)46(59-58-41)57-47(65)38-8-6-36(28-42(38)55-34-12-20-69-21-13-34)61-18-16-60(17-19-61)29-45(64)54-15-3-1-2-14-53-35-5-7-37-39(27-35)50(68)62(49(37)67)43-10-11-44(63)56-48(43)66;36-28-15-25(16-29(37)19-28)13-24-1-2-26-21-38-33(32(26)17-24)20-34(41)31-4-3-30(18-27(31)14-23-5-11-44-12-6-23)40-9-7-39(8-10-40)22-35(42)43;1-2-3-4-5-10-20-12-6-7-13-14(11-12)19(26)22(18(13)25)15-8-9-16(23)21-17(15)24/h4-9,23-28,34,43,53,55H,1-3,10-22,29H2,(H,54,64)(H,56,63,66)(H2,57,58,59,65);1-4,15-19,23H,5-14,20-22H2,(H,42,43);6-7,11,15,20H,2-5,8-10H2,1H3,(H,21,23,24).

What are the key properties of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione?

N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione has a molecular weight of 1904.14 g/mol, XLogP of 12.58, 34 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2-[4-[4-[2-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]acetyl]-3-(oxan-4-ylmethyl)phenyl]piperazin-1-yl]acetic acid;2-(2,6-dioxopiperidin-3-yl)-5-(hexylamino)isoindole-1,3-dione is sourced from PubChem (CID 161387677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).