2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid

C18H14FN3O2 — CID 141005992

IUPAC2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid
SMILESO=C(O)CC1=NN(c2ccccc2)Cc2[nH]c3ccc(F)cc3c21
InChIInChI=1S/C18H14FN3O2/c19-11-6-7-14-13(8-11)18-15(9-17(23)24)21-22(10-16(18)20-14)12-4-2-1-3-5-12/h1-8,20H,9-10H2,(H,23,24)
InChIKeyGWNLBXFPCAQZJL-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.51
Rot. Bonds3

About 2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid

2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid (PubChem CID 141005992) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid
PubChem CID141005992
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid
SMILESO=C(O)CC1=NN(c2ccccc2)Cc2[nH]c3ccc(F)cc3c21
InChIInChI=1S/C18H14FN3O2/c19-11-6-7-14-13(8-11)18-15(9-17(23)24)21-22(10-16(18)20-14)12-4-2-1-3-5-12/h1-8,20H,9-10H2,(H,23,24)
InChIKeyGWNLBXFPCAQZJL-UHFFFAOYSA-N
XLogP3.51
TPSA68.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-fluoro-4-oxo-3-phenyl-5H-pyridazino[4,5-b]indol-1-yl)acetic acid
CID 135810260
8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 106821098
3-(carboxymethyl)-5-fluoro-1H-indole-2-carboxylic acid
CID 18780519
(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 30858199
2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 22481000
9H-carbazole;2-(4-fluorophenyl)acetic acid
CID 175926186
(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone
CID 32836266
3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one
CID 58125933
2-(5-fluoro-2-phenyl-1H-indol-3-yl)acetamide
CID 152609120
3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropanoic acid
CID 83859681
2-benzyl-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)isoindole-1,3-dione
CID 33180766
2-(3-bromophenyl)-1-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 113090112

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid?
The IUPAC name of 2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid (CID 141005992) is 2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid.
What is the SMILES notation for 2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid?
The canonical SMILES for 2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid is O=C(O)CC1=NN(c2ccccc2)Cc2[nH]c3ccc(F)cc3c21.
What is the InChIKey of 2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid?
The InChIKey is GWNLBXFPCAQZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-11-6-7-14-13(8-11)18-15(9-17(23)24)21-22(10-16(18)20-14)12-4-2-1-3-5-12/h1-8,20H,9-10H2,(H,23,24).
What are the key properties of 2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid?
2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid has a molecular weight of 323.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-3-phenyl-4,5-dihydropyridazino[4,5-b]indol-1-yl)acetic acid is sourced from PubChem (CID 141005992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).