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

C23H26FN3O — CID 73297221

IUPAC2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(F)nc2)CCN2CCCC12
InChIInChI=1S/C23H26FN3O/c1-15-5-7-18-17(12-15)22-19-4-3-10-26(19)11-9-20(22)27(18)14-23(2,28)16-6-8-21(24)25-13-16/h5-8,12-13,19,28H,3-4,9-11,14H2,1-2H3
InChIKeyYBAUQGLVFWRUFY-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.08
Rot. Bonds3

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

2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol (PubChem CID 73297221) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol
PubChem CID73297221
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(F)nc2)CCN2CCCC12
InChIInChI=1S/C23H26FN3O/c1-15-5-7-18-17(12-15)22-19-4-3-10-26(19)11-9-20(22)27(18)14-23(2,28)16-6-8-21(24)25-13-16/h5-8,12-13,19,28H,3-4,9-11,14H2,1-2H3
InChIKeyYBAUQGLVFWRUFY-UHFFFAOYSA-N
XLogP4.08
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol?
The IUPAC name of 2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol (CID 73297221) is 2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol.
What is the SMILES notation for 2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol?
The canonical SMILES for 2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol is Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(F)nc2)CCN2CCCC12.
What is the InChIKey of 2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol?
The InChIKey is YBAUQGLVFWRUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-15-5-7-18-17(12-15)22-19-4-3-10-26(19)11-9-20(22)27(18)14-23(2,28)16-6-8-21(24)25-13-16/h5-8,12-13,19,28H,3-4,9-11,14H2,1-2H3.
What are the key properties of 2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol?
2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-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 2-(6-fluoro-3-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol is sourced from PubChem (CID 73297221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).