N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide

C49H51F2N9O6 — CID 167435663

About N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide

N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide (PubChem CID 167435663) has the molecular formula C49H51F2N9O6 and a molecular weight of 900.00 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide.

Molecular Properties

• Compound Name: N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide
• PubChem CID: 167435663
• Molecular Formula: C49H51F2N9O6
• Molecular Weight: 900.00 g/mol
• Exact Mass: 899.39
• IUPAC Name: N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCN(c6ccc(C(=O)Nc7n[nH]c8ccc(Cc9cc(F)cc(F)c9)cc78)c(NC7CCOCC7)c6)CC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C49H51F2N9O6/c50-32-22-31(23-33(51)25-32)21-30-1-6-41-40(24-30)45(56-55-41)54-46(62)38-5-3-36(27-42(38)52-34-11-19-66-20-12-34)59-17-15-57(16-18-59)28-29-9-13-58(14-10-29)35-2-4-37-39(26-35)49(65)60(48(37)64)43-7-8-44(61)53-47(43)63/h1-6,22-27,29,34,43,52H,7-21,28H2,(H,53,61,63)(H2,54,55,56,62)
• InChIKey: FEAMZHRFNLUNFC-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 172.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	900.00
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	4
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-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide?

The IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide (CID 167435663) is N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide.

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

The canonical SMILES for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide is O=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCN(c6ccc(C(=O)Nc7n[nH]c8ccc(Cc9cc(F)cc(F)c9)cc78)c(NC7CCOCC7)c6)CC5)CC4)cc3C2=O)C(=O)N1.

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

The InChIKey is FEAMZHRFNLUNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H51F2N9O6/c50-32-22-31(23-33(51)25-32)21-30-1-6-41-40(24-30)45(56-55-41)54-46(62)38-5-3-36(27-42(38)52-34-11-19-66-20-12-34)59-17-15-57(16-18-59)28-29-9-13-58(14-10-29)35-2-4-37-39(26-35)49(65)60(48(37)64)43-7-8-44(61)53-47(43)63/h1-6,22-27,29,34,43,52H,7-21,28H2,(H,53,61,63)(H2,54,55,56,62).

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

N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide has a molecular weight of 900.00 g/mol, XLogP of 5.71, 11 rotatable bonds, 4 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-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide is sourced from PubChem (CID 167435663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).