2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline

C24H23FN4 — CID 141403251

About 2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline

2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 141403251) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

• Compound Name: 2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline
• PubChem CID: 141403251
• Molecular Formula: C24H23FN4
• Molecular Weight: 386.47 g/mol
• Exact Mass: 386.19
• IUPAC Name: 2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline
• SMILES: Cc1ccc2cnn(C(C)c3cccc4c3CN(c3cccc(F)n3)CC4)c2c1
• InChI: InChI=1S/C24H23FN4/c1-16-9-10-19-14-26-29(22(19)13-16)17(2)20-6-3-5-18-11-12-28(15-21(18)20)24-8-4-7-23(25)27-24/h3-10,13-14,17H,11-12,15H2,1-2H3
• InChIKey: KIHUSQRCFAWSSB-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.47
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline?

The IUPAC name of 2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline (CID 141403251) is 2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline.

What is the SMILES notation for 2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline?

The canonical SMILES for 2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline is Cc1ccc2cnn(C(C)c3cccc4c3CN(c3cccc(F)n3)CC4)c2c1.

What is the InChIKey of 2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline?

The InChIKey is KIHUSQRCFAWSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c1-16-9-10-19-14-26-29(22(19)13-16)17(2)20-6-3-5-18-11-12-28(15-21(18)20)24-8-4-7-23(25)27-24/h3-10,13-14,17H,11-12,15H2,1-2H3.

What are the key properties of 2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline?

2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 386.47 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 141403251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).