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

C19H20FN3 — CID 142759095

IUPAC8-fluoro-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCC1Cc2c(c3cc(F)ccc3n2CCc2ccccn2)CN1
InChIInChI=1S/C19H20FN3/c1-13-10-19-17(12-22-13)16-11-14(20)5-6-18(16)23(19)9-7-15-4-2-3-8-21-15/h2-6,8,11,13,22H,7,9-10,12H2,1H3
InChIKeyBYMUECWERRIGCR-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.45
Rot. Bonds3

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

8-fluoro-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 142759095) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 8-fluoro-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID142759095
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name8-fluoro-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCC1Cc2c(c3cc(F)ccc3n2CCc2ccccn2)CN1
InChIInChI=1S/C19H20FN3/c1-13-10-19-17(12-22-13)16-11-14(20)5-6-18(16)23(19)9-7-15-4-2-3-8-21-15/h2-6,8,11,13,22H,7,9-10,12H2,1H3
InChIKeyBYMUECWERRIGCR-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
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-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 142759095) is 8-fluoro-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole is CC1Cc2c(c3cc(F)ccc3n2CCc2ccccn2)CN1.
What is the InChIKey of 8-fluoro-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is BYMUECWERRIGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-13-10-19-17(12-22-13)16-11-14(20)5-6-18(16)23(19)9-7-15-4-2-3-8-21-15/h2-6,8,11,13,22H,7,9-10,12H2,1H3.
What are the key properties of 8-fluoro-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
8-fluoro-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 309.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 142759095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).