1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol

C23H26FN3O — CID 73050893

About 1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol

1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 73050893) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol
• PubChem CID: 73050893
• Molecular Formula: C23H26FN3O
• Molecular Weight: 379.48 g/mol
• Exact Mass: 379.21
• IUPAC Name: 1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol
• SMILES: Cc1cc(F)c2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12
• InChI: InChI=1S/C23H26FN3O/c1-15-11-17-21-19-6-4-9-26(19)10-7-20(21)27(22(17)18(24)12-15)14-23(2,28)16-5-3-8-25-13-16/h3,5,8,11-13,19,28H,4,6-7,9-10,14H2,1-2H3
• InChIKey: LTYIMDHRFYZQLK-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 41.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.48
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol?

The IUPAC name of 1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol (CID 73050893) is 1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol.

What is the SMILES notation for 1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol?

The canonical SMILES for 1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol is Cc1cc(F)c2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12.

What is the InChIKey of 1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol?

The InChIKey is LTYIMDHRFYZQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-15-11-17-21-19-6-4-9-26(19)10-7-20(21)27(22(17)18(24)12-15)14-23(2,28)16-5-3-8-25-13-16/h3,5,8,11-13,19,28H,4,6-7,9-10,14H2,1-2H3.

What are the key properties of 1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol?

1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 379.48 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 73050893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).