2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol

C23H24F3N3O — CID 73295984

IUPAC2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol
SMILESCC(O)(Cn1c2c(c3cc(C(F)(F)F)ccc31)CN1CCCC1C2)c1cccnc1
InChIInChI=1S/C23H24F3N3O/c1-22(30,16-4-2-8-27-12-16)14-29-20-7-6-15(23(24,25)26)10-18(20)19-13-28-9-3-5-17(28)11-21(19)29/h2,4,6-8,10,12,17,30H,3,5,9,11,13-14H2,1H3
InChIKeyWVUWMNMBJGQRRG-UHFFFAOYSA-N
MW415.46 g/mol
LogP4.48
Rot. Bonds3

About 2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol

2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol (PubChem CID 73295984) has the molecular formula C23H24F3N3O and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol.

Molecular Properties

Compound Name2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol
PubChem CID73295984
Molecular FormulaC23H24F3N3O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol
SMILESCC(O)(Cn1c2c(c3cc(C(F)(F)F)ccc31)CN1CCCC1C2)c1cccnc1
InChIInChI=1S/C23H24F3N3O/c1-22(30,16-4-2-8-27-12-16)14-29-20-7-6-15(23(24,25)26)10-18(20)19-13-28-9-3-5-17(28)11-21(19)29/h2,4,6-8,10,12,17,30H,3,5,9,11,13-14H2,1H3
InChIKeyWVUWMNMBJGQRRG-UHFFFAOYSA-N
XLogP4.48
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.48
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 2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol?
The IUPAC name of 2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol (CID 73295984) is 2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol.
What is the SMILES notation for 2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol?
The canonical SMILES for 2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol is CC(O)(Cn1c2c(c3cc(C(F)(F)F)ccc31)CN1CCCC1C2)c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol?
The InChIKey is WVUWMNMBJGQRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O/c1-22(30,16-4-2-8-27-12-16)14-29-20-7-6-15(23(24,25)26)10-18(20)19-13-28-9-3-5-17(28)11-21(19)29/h2,4,6-8,10,12,17,30H,3,5,9,11,13-14H2,1H3.
What are the key properties of 2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol?
2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol has a molecular weight of 415.46 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-[7-(trifluoromethyl)-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl]propan-2-ol is sourced from PubChem (CID 73295984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).