5-[[4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]methyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione

C35H32Cl2FN7O5 — CID 175543307

About 5-[[4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]methyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione

5-[[4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]methyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione (PubChem CID 175543307) has the molecular formula C35H32Cl2FN7O5 and a molecular weight of 720.59 g/mol. Its IUPAC name is 5-[[4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]methyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[[4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]methyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
• PubChem CID: 175543307
• Molecular Formula: C35H32Cl2FN7O5
• Molecular Weight: 720.59 g/mol
• Exact Mass: 719.18
• IUPAC Name: 5-[[4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]methyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
• SMILES: Nc1ncc(-c2cnn(C3CCN(Cc4ccc5c(c4)C(=O)N([C@@H]4CCC(=O)NC4=O)C5=O)CC3)c2)cc1OCCc1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C35H32Cl2FN7O5/c36-26-3-4-27(38)31(37)24(26)9-12-50-29-14-20(15-40-32(29)39)21-16-41-44(18-21)22-7-10-43(11-8-22)17-19-1-2-23-25(13-19)35(49)45(34(23)48)28-5-6-30(46)42-33(28)47/h1-4,13-16,18,22,28H,5-12,17H2,(H2,39,40)(H,42,46,47)/t28-/m1/s1
• InChIKey: UJEKDAUPKWSUSE-MUUNZHRXSA-N
• XLogP: 4.83
• TPSA: 152.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	720.59
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-[[4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]methyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione (CID 175543307) is 5-[[4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]methyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione.

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

The canonical SMILES for 5-[[4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]methyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione is Nc1ncc(-c2cnn(C3CCN(Cc4ccc5c(c4)C(=O)N([C@@H]4CCC(=O)NC4=O)C5=O)CC3)c2)cc1OCCc1c(Cl)ccc(F)c1Cl.

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

The InChIKey is UJEKDAUPKWSUSE-MUUNZHRXSA-N. The full InChI is InChI=1S/C35H32Cl2FN7O5/c36-26-3-4-27(38)31(37)24(26)9-12-50-29-14-20(15-40-32(29)39)21-16-41-44(18-21)22-7-10-43(11-8-22)17-19-1-2-23-25(13-19)35(49)45(34(23)48)28-5-6-30(46)42-33(28)47/h1-4,13-16,18,22,28H,5-12,17H2,(H2,39,40)(H,42,46,47)/t28-/m1/s1.

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

5-[[4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]methyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione has a molecular weight of 720.59 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]methyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 175543307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).