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

C22H24FN3O — CID 73053638

IUPAC1-(3-fluoro-4-pyridinyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2ccncc2F)CCN2CCCC12
InChIInChI=1S/C22H24FN3O/c1-14-4-5-18-16(11-14)22-19-3-2-9-25(19)10-7-20(22)26(18)13-21(27)15-6-8-24-12-17(15)23/h4-6,8,11-12,19,21,27H,2-3,7,9-10,13H2,1H3
InChIKeyRMJCZKJYTJXFPK-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.91
Rot. Bonds3

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

1-(3-fluoro-4-pyridinyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol (PubChem CID 73053638) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol
PubChem CID73053638
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name1-(3-fluoro-4-pyridinyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2ccncc2F)CCN2CCCC12
InChIInChI=1S/C22H24FN3O/c1-14-4-5-18-16(11-14)22-19-3-2-9-25(19)10-7-20(22)26(18)13-21(27)15-6-8-24-12-17(15)23/h4-6,8,11-12,19,21,27H,2-3,7,9-10,13H2,1H3
InChIKeyRMJCZKJYTJXFPK-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 1-(3-fluoro-4-pyridinyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol (CID 73053638) is 1-(3-fluoro-4-pyridinyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol is Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2F)CCN2CCCC12.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol?
The InChIKey is RMJCZKJYTJXFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-14-4-5-18-16(11-14)22-19-3-2-9-25(19)10-7-20(22)26(18)13-21(27)15-6-8-24-12-17(15)23/h4-6,8,11-12,19,21,27H,2-3,7,9-10,13H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol?
1-(3-fluoro-4-pyridinyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol 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 1-(3-fluoro-4-pyridinyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol is sourced from PubChem (CID 73053638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).