N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid

C50H56F5N9O6 — CID 175869645

About N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid

N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid (PubChem CID 175869645) has the molecular formula C50H56F5N9O6 and a molecular weight of 974.04 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid
• PubChem CID: 175869645
• Molecular Formula: C50H56F5N9O6
• Molecular Weight: 974.04 g/mol
• Exact Mass: 973.43
• IUPAC Name: N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.O=C1CCC(Nc2ccc(C3CCN(CCN4CCN(c5ccc(C(=O)Nc6n[nH]c7ccc(Cc8cc(F)cc(F)c8)cc67)c(NC6CCOCC6)c5)CC4)CC3)cc2)C(=O)N1
• InChI: InChI=1S/C48H55F2N9O4.C2HF3O2/c49-35-26-32(27-36(50)29-35)25-31-1-8-42-41(28-31)46(56-55-42)54-47(61)40-7-6-39(30-44(40)52-38-13-23-63-24-14-38)59-21-19-58(20-22-59)18-17-57-15-11-34(12-16-57)33-2-4-37(5-3-33)51-43-9-10-45(60)53-48(43)62;3-2(4,5)1(6)7/h1-8,26-30,34,38,43,51-52H,9-25H2,(H,53,60,62)(H2,54,55,56,61);(H,6,7)
• InChIKey: DEEVFLAWLLFXQD-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 184.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	974.04
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'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-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid (CID 175869645) is N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CCC(Nc2ccc(C3CCN(CCN4CCN(c5ccc(C(=O)Nc6n[nH]c7ccc(Cc8cc(F)cc(F)c8)cc67)c(NC6CCOCC6)c5)CC4)CC3)cc2)C(=O)N1.

What is the InChIKey of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid?

The InChIKey is DEEVFLAWLLFXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H55F2N9O4.C2HF3O2/c49-35-26-32(27-36(50)29-35)25-31-1-8-42-41(28-31)46(56-55-42)54-47(61)40-7-6-39(30-44(40)52-38-13-23-63-24-14-38)59-21-19-58(20-22-59)18-17-57-15-11-34(12-16-57)33-2-4-37(5-3-33)51-43-9-10-45(60)53-48(43)62;3-2(4,5)1(6)7/h1-8,26-30,34,38,43,51-52H,9-25H2,(H,53,60,62)(H2,54,55,56,61);(H,6,7).

What are the key properties of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid?

N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 974.04 g/mol, XLogP of 7.13, 13 rotatable bonds, 6 hydrogen bond donors, and 11 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-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175869645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).