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

C23H26FN3O — CID 118481731

IUPAC(2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol
SMILESCc1cc(F)c2c(c1)c1c(n2C[C@@](C)(O)c2cccnc2)CCN2CCC[C@H]12
InChIInChI=1S/C23H26FN3O/c1-15-11-17-21-19-6-4-9-26(19)10-7-20(21)27(22(17)18(24)12-15)14-23(2,28)16-5-3-8-25-13-16/h3,5,8,11-13,19,28H,4,6-7,9-10,14H2,1-2H3/t19-,23-/m1/s1
InChIKeyLTYIMDHRFYZQLK-AUSIDOKSSA-N
MW379.48 g/mol
LogP4.08
Rot. Bonds3

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

(2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol (PubChem CID 118481731) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is (2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol
PubChem CID118481731
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name(2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol
SMILESCc1cc(F)c2c(c1)c1c(n2C[C@@](C)(O)c2cccnc2)CCN2CCC[C@H]12
InChIInChI=1S/C23H26FN3O/c1-15-11-17-21-19-6-4-9-26(19)10-7-20(21)27(22(17)18(24)12-15)14-23(2,28)16-5-3-8-25-13-16/h3,5,8,11-13,19,28H,4,6-7,9-10,14H2,1-2H3/t19-,23-/m1/s1
InChIKeyLTYIMDHRFYZQLK-AUSIDOKSSA-N
XLogP4.08
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of (2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol (CID 118481731) is (2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol is Cc1cc(F)c2c(c1)c1c(n2C[C@@](C)(O)c2cccnc2)CCN2CCC[C@H]12.
What is the InChIKey of (2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol?
The InChIKey is LTYIMDHRFYZQLK-AUSIDOKSSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-15-11-17-21-19-6-4-9-26(19)10-7-20(21)27(22(17)18(24)12-15)14-23(2,28)16-5-3-8-25-13-16/h3,5,8,11-13,19,28H,4,6-7,9-10,14H2,1-2H3/t19-,23-/m1/s1.
What are the key properties of (2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol?
(2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol has a molecular weight of 379.48 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(11cR)-8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 118481731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).