9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole

C24H20FN3 — CID 163451324

IUPAC9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole
SMILESCN1CC=CC=C1c1nccc2c3ccccc3n(Cc3ccc(F)cc3)c12
InChIInChI=1S/C24H20FN3/c1-27-15-5-4-8-22(27)23-24-20(13-14-26-23)19-6-2-3-7-21(19)28(24)16-17-9-11-18(25)12-10-17/h2-14H,15-16H2,1H3
InChIKeyBGVPUIVVSDDSNF-UHFFFAOYSA-N
MW369.44 g/mol
LogP5.22
Rot. Bonds3

About 9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole

9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole (PubChem CID 163451324) has the molecular formula C24H20FN3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole
PubChem CID163451324
Molecular FormulaC24H20FN3
Molecular Weight369.44 g/mol
Exact Mass369.16
IUPAC Name9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole
SMILESCN1CC=CC=C1c1nccc2c3ccccc3n(Cc3ccc(F)cc3)c12
InChIInChI=1S/C24H20FN3/c1-27-15-5-4-8-22(27)23-24-20(13-14-26-23)19-6-2-3-7-21(19)28(24)16-17-9-11-18(25)12-10-17/h2-14H,15-16H2,1H3
InChIKeyBGVPUIVVSDDSNF-UHFFFAOYSA-N
XLogP5.22
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.22
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-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole (CID 163451324) is 9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole is CN1CC=CC=C1c1nccc2c3ccccc3n(Cc3ccc(F)cc3)c12.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole?
The InChIKey is BGVPUIVVSDDSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3/c1-27-15-5-4-8-22(27)23-24-20(13-14-26-23)19-6-2-3-7-21(19)28(24)16-17-9-11-18(25)12-10-17/h2-14H,15-16H2,1H3.
What are the key properties of 9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole?
9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole has a molecular weight of 369.44 g/mol, XLogP of 5.22, 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-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole is sourced from PubChem (CID 163451324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).