9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole

C23H16FN3 — CID 141472185

IUPAC9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole
SMILESFc1ccc(Cn2c3ccccc3c3ccnc(-c4ccccn4)c32)cc1
InChIInChI=1S/C23H16FN3/c24-17-10-8-16(9-11-17)15-27-21-7-2-1-5-18(21)19-12-14-26-22(23(19)27)20-6-3-4-13-25-20/h1-14H,15H2
InChIKeySURFEUUSNHJGEN-UHFFFAOYSA-N
MW353.40 g/mol
LogP5.44
Rot. Bonds3

About 9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole

9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole (PubChem CID 141472185) has the molecular formula C23H16FN3 and a molecular weight of 353.40 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole
PubChem CID141472185
Molecular FormulaC23H16FN3
Molecular Weight353.40 g/mol
Exact Mass353.13
IUPAC Name9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole
SMILESFc1ccc(Cn2c3ccccc3c3ccnc(-c4ccccn4)c32)cc1
InChIInChI=1S/C23H16FN3/c24-17-10-8-16(9-11-17)15-27-21-7-2-1-5-18(21)19-12-14-26-22(23(19)27)20-6-3-4-13-25-20/h1-14H,15H2
InChIKeySURFEUUSNHJGEN-UHFFFAOYSA-N
XLogP5.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.40
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole (CID 141472185) is 9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole is Fc1ccc(Cn2c3ccccc3c3ccnc(-c4ccccn4)c32)cc1.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole?
The InChIKey is SURFEUUSNHJGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3/c24-17-10-8-16(9-11-17)15-27-21-7-2-1-5-18(21)19-12-14-26-22(23(19)27)20-6-3-4-13-25-20/h1-14H,15H2.
What are the key properties of 9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole?
9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole has a molecular weight of 353.40 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole is sourced from PubChem (CID 141472185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).