2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine

C24H23FN4 — CID 10110698

About 2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine

2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine (PubChem CID 10110698) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine.

Molecular Properties

• Compound Name: 2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine
• PubChem CID: 10110698
• Molecular Formula: C24H23FN4
• Molecular Weight: 386.47 g/mol
• Exact Mass: 386.19
• IUPAC Name: 2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine
• SMILES: CCC1=CC2C=C(c3[nH]nc(-c4ccc(F)cc4)c3-c3ccncc3)CCN2C1
• InChI: InChI=1S/C24H23FN4/c1-2-16-13-21-14-19(9-12-29(21)15-16)24-22(17-7-10-26-11-8-17)23(27-28-24)18-3-5-20(25)6-4-18/h3-8,10-11,13-14,21H,2,9,12,15H2,1H3,(H,27,28)
• InChIKey: NPDBNEMYOLFVHV-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.47
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine?

The IUPAC name of 2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine (CID 10110698) is 2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine.

What is the SMILES notation for 2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine?

The canonical SMILES for 2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine is CCC1=CC2C=C(c3[nH]nc(-c4ccc(F)cc4)c3-c3ccncc3)CCN2C1.

What is the InChIKey of 2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine?

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

What are the key properties of 2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine?

2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine has a molecular weight of 386.47 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine is sourced from PubChem (CID 10110698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).