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

C22H24F2N2 — CID 71141014

IUPAC8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(F)ccc3n2CC(C)(C)c2ccc(F)cc2)C1
InChIInChI=1S/C22H24F2N2/c1-22(2,15-4-6-16(23)7-5-15)14-26-20-9-8-17(24)12-18(20)19-13-25(3)11-10-21(19)26/h4-9,12H,10-11,13-14H2,1-3H3
InChIKeyXVDYINFJIZKZBN-UHFFFAOYSA-N
MW354.44 g/mol
LogP4.89
Rot. Bonds3

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

8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 71141014) has the molecular formula C22H24F2N2 and a molecular weight of 354.44 g/mol. Its IUPAC name is 8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID71141014
Molecular FormulaC22H24F2N2
Molecular Weight354.44 g/mol
Exact Mass354.19
IUPAC Name8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(F)ccc3n2CC(C)(C)c2ccc(F)cc2)C1
InChIInChI=1S/C22H24F2N2/c1-22(2,15-4-6-16(23)7-5-15)14-26-20-9-8-17(24)12-18(20)19-13-25(3)11-10-21(19)26/h4-9,12H,10-11,13-14H2,1-3H3
InChIKeyXVDYINFJIZKZBN-UHFFFAOYSA-N
XLogP4.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 71141014) is 8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3cc(F)ccc3n2CC(C)(C)c2ccc(F)cc2)C1.
What is the InChIKey of 8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is XVDYINFJIZKZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2/c1-22(2,15-4-6-16(23)7-5-15)14-26-20-9-8-17(24)12-18(20)19-13-25(3)11-10-21(19)26/h4-9,12H,10-11,13-14H2,1-3H3.
What are the key properties of 8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 354.44 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 71141014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).