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

C22H24FN3O — CID 73295138

IUPAC1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol
SMILESCC(O)(Cn1c2c(c3cc(F)ccc31)C1CCCN1CC2)c1ccncc1
InChIInChI=1S/C22H24FN3O/c1-22(27,15-6-9-24-10-7-15)14-26-18-5-4-16(23)13-17(18)21-19-3-2-11-25(19)12-8-20(21)26/h4-7,9-10,13,19,27H,2-3,8,11-12,14H2,1H3
InChIKeyPTHMUOOVQTZJIJ-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.78
Rot. Bonds3

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

1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol (PubChem CID 73295138) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol
PubChem CID73295138
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol
SMILESCC(O)(Cn1c2c(c3cc(F)ccc31)C1CCCN1CC2)c1ccncc1
InChIInChI=1S/C22H24FN3O/c1-22(27,15-6-9-24-10-7-15)14-26-18-5-4-16(23)13-17(18)21-19-3-2-11-25(19)12-8-20(21)26/h4-7,9-10,13,19,27H,2-3,8,11-12,14H2,1H3
InChIKeyPTHMUOOVQTZJIJ-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol?
The IUPAC name of 1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol (CID 73295138) is 1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol is CC(O)(Cn1c2c(c3cc(F)ccc31)C1CCCN1CC2)c1ccncc1.
What is the InChIKey of 1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol?
The InChIKey is PTHMUOOVQTZJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-22(27,15-6-9-24-10-7-15)14-26-18-5-4-16(23)13-17(18)21-19-3-2-11-25(19)12-8-20(21)26/h4-7,9-10,13,19,27H,2-3,8,11-12,14H2,1H3.
What are the key properties of 1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol?
1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol has a molecular weight of 365.45 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 73295138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).