8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

C49H52FGeIrN3O-2 — CID 155610724

About 8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 155610724) has the molecular formula C49H52FGeIrN3O-2 and a molecular weight of 987.83 g/mol. Its IUPAC name is 8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 155610724
• Molecular Formula: C49H52FGeIrN3O-2
• Molecular Weight: 987.83 g/mol
• Exact Mass: 989.33
• IUPAC Name: 8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• SMILES: [2H]C(C)(C)c1cnc(-c2[c-]cc(F)c3c2oc2nc(-c4ccccc4)ccc23)cc1C([2H])([2H])C1CCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[Ir]
• InChI: InChI=1S/C31H28FN2O.C18H24GeN.Ir/c1-19(2)25-18-33-28(17-22(25)16-20-8-6-7-9-20)23-12-14-26(32)29-24-13-15-27(21-10-4-3-5-11-21)34-31(24)35-30(23)29;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h3-5,10-11,13-15,17-20H,6-9,16H2,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i16D2,19D;11D2
• InChIKey: AWKXZFCBGXATJS-XIEVJHQUSA-N
• XLogP: 12.80
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.83
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (CID 155610724) is 8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

What is the SMILES notation for 8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The canonical SMILES for 8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is [2H]C(C)(C)c1cnc(-c2[c-]cc(F)c3c2oc2nc(-c4ccccc4)ccc23)cc1C([2H])([2H])C1CCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[Ir].

What is the InChIKey of 8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is AWKXZFCBGXATJS-XIEVJHQUSA-N. The full InChI is InChI=1S/C31H28FN2O.C18H24GeN.Ir/c1-19(2)25-18-33-28(17-22(25)16-20-8-6-7-9-20)23-12-14-26(32)29-24-13-15-27(21-10-4-3-5-11-21)34-31(24)35-30(23)29;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h3-5,10-11,13-15,17-20H,6-9,16H2,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i16D2,19D;11D2;.

What are the key properties of 8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 987.83 g/mol, XLogP of 12.80, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 155610724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).