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

C22H24FN3O — CID 118489669

IUPAC2-(11-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1ccc2c(c1F)c1c(n2CC(O)c2ccncc2)CCN2CCCC12
InChIInChI=1S/C22H24FN3O/c1-14-4-5-17-21(22(14)23)20-16-3-2-11-25(16)12-8-18(20)26(17)13-19(27)15-6-9-24-10-7-15/h4-7,9-10,16,19,27H,2-3,8,11-13H2,1H3
InChIKeyICCSILMBSLXBIT-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.91
Rot. Bonds3

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

2-(11-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (PubChem CID 118489669) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-(11-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(11-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
PubChem CID118489669
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name2-(11-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1ccc2c(c1F)c1c(n2CC(O)c2ccncc2)CCN2CCCC12
InChIInChI=1S/C22H24FN3O/c1-14-4-5-17-21(22(14)23)20-16-3-2-11-25(16)12-8-18(20)26(17)13-19(27)15-6-9-24-10-7-15/h4-7,9-10,16,19,27H,2-3,8,11-13H2,1H3
InChIKeyICCSILMBSLXBIT-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

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Frequently Asked Questions

What is the IUPAC name of 2-(11-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-(11-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (CID 118489669) is 2-(11-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-(11-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-(11-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is Cc1ccc2c(c1F)c1c(n2CC(O)c2ccncc2)CCN2CCCC12.
What is the InChIKey of 2-(11-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The InChIKey is ICCSILMBSLXBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-14-4-5-17-21(22(14)23)20-16-3-2-11-25(16)12-8-18(20)26(17)13-19(27)15-6-9-24-10-7-15/h4-7,9-10,16,19,27H,2-3,8,11-13H2,1H3.
What are the key properties of 2-(11-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
2-(11-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-(11-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 118489669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).