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

C22H24FN3O — CID 73331254

IUPAC2-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1cc(F)c2c(c1)c1c(n2CC(O)c2ccncc2)CCN2CCCC12
InChIInChI=1S/C22H24FN3O/c1-14-11-16-21-18-3-2-9-25(18)10-6-19(21)26(22(16)17(23)12-14)13-20(27)15-4-7-24-8-5-15/h4-5,7-8,11-12,18,20,27H,2-3,6,9-10,13H2,1H3
InChIKeyKICYHWBTNANOOO-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.91
Rot. Bonds3

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

2-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (PubChem CID 73331254) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
PubChem CID73331254
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name2-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1cc(F)c2c(c1)c1c(n2CC(O)c2ccncc2)CCN2CCCC12
InChIInChI=1S/C22H24FN3O/c1-14-11-16-21-18-3-2-9-25(18)10-6-19(21)26(22(16)17(23)12-14)13-20(27)15-4-7-24-8-5-15/h4-5,7-8,11-12,18,20,27H,2-3,6,9-10,13H2,1H3
InChIKeyKICYHWBTNANOOO-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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Related Compounds

CID 315014
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CID 134563650
CID 134563650
CID 134578456
CID 134578456
CID 21217
CID 21217
CID 39131
CID 39131
CID 17604207
CID 17604207
CID 44351077
CID 44351077
CID 44372860
CID 44372860
CID 155554830
CID 155554830

Frequently Asked Questions

What is the IUPAC name of 2-(8-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-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (CID 73331254) is 2-(8-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-(8-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-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is Cc1cc(F)c2c(c1)c1c(n2CC(O)c2ccncc2)CCN2CCCC12.
What is the InChIKey of 2-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The InChIKey is KICYHWBTNANOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-14-11-16-21-18-3-2-9-25(18)10-6-19(21)26(22(16)17(23)12-14)13-20(27)15-4-7-24-8-5-15/h4-5,7-8,11-12,18,20,27H,2-3,6,9-10,13H2,1H3.
What are the key properties of 2-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
2-(8-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-(8-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 73331254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).