8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C19H20FN3 — CID 54579956

IUPAC8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(F)ccc3n2CCc2ccccn2)C1
InChIInChI=1S/C19H20FN3/c1-22-10-8-19-17(13-22)16-12-14(20)5-6-18(16)23(19)11-7-15-4-2-3-9-21-15/h2-6,9,12H,7-8,10-11,13H2,1H3
InChIKeyOORNIOGZQUYGRW-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.41
Rot. Bonds3

About 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 54579956) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID54579956
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(F)ccc3n2CCc2ccccn2)C1
InChIInChI=1S/C19H20FN3/c1-22-10-8-19-17(13-22)16-12-14(20)5-6-18(16)23(19)11-7-15-4-2-3-9-21-15/h2-6,9,12H,7-8,10-11,13H2,1H3
InChIKeyOORNIOGZQUYGRW-UHFFFAOYSA-N
XLogP3.41
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 54579956) is 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3cc(F)ccc3n2CCc2ccccn2)C1.
What is the InChIKey of 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is OORNIOGZQUYGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-22-10-8-19-17(13-22)16-12-14(20)5-6-18(16)23(19)11-7-15-4-2-3-9-21-15/h2-6,9,12H,7-8,10-11,13H2,1H3.
What are the key properties of 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 309.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 54579956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).