6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid

C25H17FN2O3 — CID 177481591

IUPAC6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid
SMILESCn1c2ccc(F)cc2c2c(C(=O)O)c(-c3ccccc3)n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C25H17FN2O3/c1-27-19-13-12-16(26)14-18(19)20-21(25(30)31)22(15-8-4-2-5-9-15)28(24(29)23(20)27)17-10-6-3-7-11-17/h2-14H,1H3,(H,30,31)
InChIKeyUOAPBGXEUOOQEE-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.99
Rot. Bonds3

About 6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid

6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid (PubChem CID 177481591) has the molecular formula C25H17FN2O3 and a molecular weight of 412.42 g/mol. Its IUPAC name is 6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid
PubChem CID177481591
Molecular FormulaC25H17FN2O3
Molecular Weight412.42 g/mol
Exact Mass412.12
IUPAC Name6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid
SMILESCn1c2ccc(F)cc2c2c(C(=O)O)c(-c3ccccc3)n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C25H17FN2O3/c1-27-19-13-12-16(26)14-18(19)20-21(25(30)31)22(15-8-4-2-5-9-15)28(24(29)23(20)27)17-10-6-3-7-11-17/h2-14H,1H3,(H,30,31)
InChIKeyUOAPBGXEUOOQEE-UHFFFAOYSA-N
XLogP4.99
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid with MolForge

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Related Compounds

3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one
CID 141164758
6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid
CID 18780532
8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione
CID 118539765
1-methyl-3-oxo-2,5-diphenylpyrazole-4-carboxylic acid
CID 170985188
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid
CID 57216606
1-[(4-fluorophenyl)methyl]-5,8-dimethyl-3-phenylpyrimido[5,4-b]indole-2,4-dione
CID 20914460
3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole
CID 121447553
4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one
CID 71531530
5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025405
[6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate
CID 56959690
2-(8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetic acid
CID 21183740

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid?
The IUPAC name of 6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid (CID 177481591) is 6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid?
The canonical SMILES for 6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid is Cn1c2ccc(F)cc2c2c(C(=O)O)c(-c3ccccc3)n(-c3ccccc3)c(=O)c21.
What is the InChIKey of 6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid?
The InChIKey is UOAPBGXEUOOQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O3/c1-27-19-13-12-16(26)14-18(19)20-21(25(30)31)22(15-8-4-2-5-9-15)28(24(29)23(20)27)17-10-6-3-7-11-17/h2-14H,1H3,(H,30,31).
What are the key properties of 6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid?
6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid has a molecular weight of 412.42 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid is sourced from PubChem (CID 177481591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).