2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol

C21H22FN3O — CID 73294801

IUPAC2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESOC(Cn1c2c(c3cc(F)ccc31)C1CCCN1CC2)c1ccncc1
InChIInChI=1S/C21H22FN3O/c22-15-3-4-17-16(12-15)21-18-2-1-10-24(18)11-7-19(21)25(17)13-20(26)14-5-8-23-9-6-14/h3-6,8-9,12,18,20,26H,1-2,7,10-11,13H2
InChIKeyOJLNZYZRGPEBSU-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.60
Rot. Bonds3

About 2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol

2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (PubChem CID 73294801) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
PubChem CID73294801
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESOC(Cn1c2c(c3cc(F)ccc31)C1CCCN1CC2)c1ccncc1
InChIInChI=1S/C21H22FN3O/c22-15-3-4-17-16(12-15)21-18-2-1-10-24(18)11-7-19(21)25(17)13-20(26)14-5-8-23-9-6-14/h3-6,8-9,12,18,20,26H,1-2,7,10-11,13H2
InChIKeyOJLNZYZRGPEBSU-UHFFFAOYSA-N
XLogP3.60
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The IUPAC name of 2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (CID 73294801) is 2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is OC(Cn1c2c(c3cc(F)ccc31)C1CCCN1CC2)c1ccncc1.
What is the InChIKey of 2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The InChIKey is OJLNZYZRGPEBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-15-3-4-17-16(12-15)21-18-2-1-10-24(18)11-7-19(21)25(17)13-20(26)14-5-8-23-9-6-14/h3-6,8-9,12,18,20,26H,1-2,7,10-11,13H2.
What are the key properties of 2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol has a molecular weight of 351.43 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 73294801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).