1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol

C21H24FN3O — CID 71008309

IUPAC1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol
SMILESCN1CCc2c(c3cc(CF)ccc3n2CC(C)(O)c2cccnc2)C1
InChIInChI=1S/C21H24FN3O/c1-21(26,16-4-3-8-23-12-16)14-25-19-6-5-15(11-22)10-17(19)18-13-24(2)9-7-20(18)25/h3-6,8,10,12,26H,7,9,11,13-14H2,1-2H3
InChIKeyXEUIPOFHRCLYKZ-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.40
Rot. Bonds4

About 1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol

1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol (PubChem CID 71008309) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol
PubChem CID71008309
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol
SMILESCN1CCc2c(c3cc(CF)ccc3n2CC(C)(O)c2cccnc2)C1
InChIInChI=1S/C21H24FN3O/c1-21(26,16-4-3-8-23-12-16)14-25-19-6-5-15(11-22)10-17(19)18-13-24(2)9-7-20(18)25/h3-6,8,10,12,26H,7,9,11,13-14H2,1-2H3
InChIKeyXEUIPOFHRCLYKZ-UHFFFAOYSA-N
XLogP3.40
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.40
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-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol (CID 71008309) is 1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol is CN1CCc2c(c3cc(CF)ccc3n2CC(C)(O)c2cccnc2)C1.
What is the InChIKey of 1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol?
The InChIKey is XEUIPOFHRCLYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-21(26,16-4-3-8-23-12-16)14-25-19-6-5-15(11-22)10-17(19)18-13-24(2)9-7-20(18)25/h3-6,8,10,12,26H,7,9,11,13-14H2,1-2H3.
What are the key properties of 1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol?
1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol has a molecular weight of 353.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 71008309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).