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

C22H24FN3O — CID 118489670

IUPAC2-(6-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)C(F)CN2CCCC12
InChIInChI=1S/C22H24FN3O/c1-14-4-5-18-16(11-14)21-19-3-2-10-25(19)12-17(23)22(21)26(18)13-20(27)15-6-8-24-9-7-15/h4-9,11,17,19-20,27H,2-3,10,12-13H2,1H3
InChIKeyJSBHSSGCGKEJIB-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.24
Rot. Bonds3

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

2-(6-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (PubChem CID 118489670) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-(6-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(6-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
PubChem CID118489670
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name2-(6-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)C(F)CN2CCCC12
InChIInChI=1S/C22H24FN3O/c1-14-4-5-18-16(11-14)21-19-3-2-10-25(19)12-17(23)22(21)26(18)13-20(27)15-6-8-24-9-7-15/h4-9,11,17,19-20,27H,2-3,10,12-13H2,1H3
InChIKeyJSBHSSGCGKEJIB-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-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-(6-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (CID 118489670) is 2-(6-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-(6-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-(6-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)C(F)CN2CCCC12.
What is the InChIKey of 2-(6-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The InChIKey is JSBHSSGCGKEJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-14-4-5-18-16(11-14)21-19-3-2-10-25(19)12-17(23)22(21)26(18)13-20(27)15-6-8-24-9-7-15/h4-9,11,17,19-20,27H,2-3,10,12-13H2,1H3.
What are the key properties of 2-(6-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
2-(6-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 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-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 118489670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).