2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol

C22H24FN3O — CID 73296736

IUPAC2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1cc2c3c(n(CC(O)c4ccncc4)c2cc1F)CCN1CCCC31
InChIInChI=1S/C22H24FN3O/c1-14-11-16-20(12-17(14)23)26(13-21(27)15-4-7-24-8-5-15)19-6-10-25-9-2-3-18(25)22(16)19/h4-5,7-8,11-12,18,21,27H,2-3,6,9-10,13H2,1H3
InChIKeySLCGIWVFJMKISF-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.91
Rot. Bonds3

About 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol

2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (PubChem CID 73296736) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
PubChem CID73296736
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1cc2c3c(n(CC(O)c4ccncc4)c2cc1F)CCN1CCCC31
InChIInChI=1S/C22H24FN3O/c1-14-11-16-20(12-17(14)23)26(13-21(27)15-4-7-24-8-5-15)19-6-10-25-9-2-3-18(25)22(16)19/h4-5,7-8,11-12,18,21,27H,2-3,6,9-10,13H2,1H3
InChIKeySLCGIWVFJMKISF-UHFFFAOYSA-N
XLogP3.91
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.91
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-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The IUPAC name of 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (CID 73296736) is 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is Cc1cc2c3c(n(CC(O)c4ccncc4)c2cc1F)CCN1CCCC31.
What is the InChIKey of 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The InChIKey is SLCGIWVFJMKISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-14-11-16-20(12-17(14)23)26(13-21(27)15-4-7-24-8-5-15)19-6-10-25-9-2-3-18(25)22(16)19/h4-5,7-8,11-12,18,21,27H,2-3,6,9-10,13H2,1H3.
What are the key properties of 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol has a molecular weight of 365.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 73296736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).