6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

C72H69F3IN9O3Si — CID 157450533

About 6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 157450533) has the molecular formula C72H69F3IN9O3Si and a molecular weight of 1320.39 g/mol. Its IUPAC name is 6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: 6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• PubChem CID: 157450533
• Molecular Formula: C72H69F3IN9O3Si
• Molecular Weight: 1320.39 g/mol
• Exact Mass: 1319.43
• IUPAC Name: 6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cccnc21.O=C(c1ccc(CCc2ccccc2F)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(CCc2ccccc2F)nc1)c1c[nH]c2ncccc12.O=Cc1ccc(CCc2ccccc2F)nc1
• InChI: InChI=1S/2C21H16FN3O.C16H25IN2Si.C14H12FNO/c2*22-19-6-2-1-4-14(19)7-9-16-10-8-15(12-24-16)20(26)18-13-25-21-17(18)5-3-11-23-21;1-11(2)20(12(3)4,13(5)6)19-10-15(17)14-8-7-9-18-16(14)19;15-14-4-2-1-3-12(14)6-8-13-7-5-11(10-17)9-16-13/h2*1-6,8,10-13H,7,9H2,(H,23,25);7-13H,1-6H3;1-5,7,9-10H,6,8H2
• InChIKey: BSTBZHGFORKMQC-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 165.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1320.39
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The IUPAC name of 6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 157450533) is 6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

What is the SMILES notation for 6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The canonical SMILES for 6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cccnc21.O=C(c1ccc(CCc2ccccc2F)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(CCc2ccccc2F)nc1)c1c[nH]c2ncccc12.O=Cc1ccc(CCc2ccccc2F)nc1.

What is the InChIKey of 6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The InChIKey is BSTBZHGFORKMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16FN3O.C16H25IN2Si.C14H12FNO/c2*22-19-6-2-1-4-14(19)7-9-16-10-8-15(12-24-16)20(26)18-13-25-21-17(18)5-3-11-23-21;1-11(2)20(12(3)4,13(5)6)19-10-15(17)14-8-7-9-18-16(14)19;15-14-4-2-1-3-12(14)6-8-13-7-5-11(10-17)9-16-13/h2*1-6,8,10-13H,7,9H2,(H,23,25);7-13H,1-6H3;1-5,7,9-10H,6,8H2.

What are the key properties of 6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 1320.39 g/mol, XLogP of 16.71, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2-fluorophenyl)ethyl]pyridine-3-carbaldehyde;bis([6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 157450533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).