5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile

C46H48FN11O5 — CID 171093984

About 5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile

5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile (PubChem CID 171093984) has the molecular formula C46H48FN11O5 and a molecular weight of 853.96 g/mol. Its IUPAC name is 5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile
• PubChem CID: 171093984
• Molecular Formula: C46H48FN11O5
• Molecular Weight: 853.96 g/mol
• Exact Mass: 853.38
• IUPAC Name: 5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile
• SMILES: C[C@@H](Oc1cc(-c2c(C#N)ncn2Cc2cnn(CC3CCN(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c2)cnc1N)c1cccc(F)c1
• InChI: InChI=1S/C46H48FN11O5/c1-28(32-3-2-4-34(47)17-32)63-40-18-33(22-50-43(40)49)42-38(20-48)51-27-56(42)24-31-21-52-57(26-31)25-30-9-13-54(14-10-30)23-29-11-15-55(16-12-29)35-5-6-36-37(19-35)46(62)58(45(36)61)39-7-8-41(59)53-44(39)60/h2-6,17-19,21-22,26-30,39H,7-16,23-25H2,1H3,(H2,49,50)(H,53,59,60)/t28-,39?/m1/s1
• InChIKey: LNKVUTRHMLQPRY-RRZXGEHQSA-N
• XLogP: 4.95
• TPSA: 197.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.96
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile?

The IUPAC name of 5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile (CID 171093984) is 5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile.

What is the SMILES notation for 5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile?

The canonical SMILES for 5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile is C[C@@H](Oc1cc(-c2c(C#N)ncn2Cc2cnn(CC3CCN(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c2)cnc1N)c1cccc(F)c1.

What is the InChIKey of 5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile?

The InChIKey is LNKVUTRHMLQPRY-RRZXGEHQSA-N. The full InChI is InChI=1S/C46H48FN11O5/c1-28(32-3-2-4-34(47)17-32)63-40-18-33(22-50-43(40)49)42-38(20-48)51-27-56(42)24-31-21-52-57(26-31)25-30-9-13-54(14-10-30)23-29-11-15-55(16-12-29)35-5-6-36-37(19-35)46(62)58(45(36)61)39-7-8-41(59)53-44(39)60/h2-6,17-19,21-22,26-30,39H,7-16,23-25H2,1H3,(H2,49,50)(H,53,59,60)/t28-,39?/m1/s1.

What are the key properties of 5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile?

5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile has a molecular weight of 853.96 g/mol, XLogP of 4.95, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-amino-5-[(1R)-1-(3-fluorophenyl)ethoxy]-3-pyridinyl]-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]pyrazol-4-yl]methyl]imidazole-4-carbonitrile is sourced from PubChem (CID 171093984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).