3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one

C23H20FN3O2 — CID 141164758

IUPAC3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one
SMILESCn1c2ccccc2c2c(C(=O)N3CCCC3)c(F)n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C23H20FN3O2/c1-25-17-12-6-5-11-16(17)18-19(22(28)26-13-7-8-14-26)21(24)27(23(29)20(18)25)15-9-3-2-4-10-15/h2-6,9-12H,7-8,13-14H2,1H3
InChIKeyOOLWUXZSVWDDHY-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.86
Rot. Bonds2

About 3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one

3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one (PubChem CID 141164758) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one
PubChem CID141164758
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one
SMILESCn1c2ccccc2c2c(C(=O)N3CCCC3)c(F)n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C23H20FN3O2/c1-25-17-12-6-5-11-16(17)18-19(22(28)26-13-7-8-14-26)21(24)27(23(29)20(18)25)15-9-3-2-4-10-15/h2-6,9-12H,7-8,13-14H2,1H3
InChIKeyOOLWUXZSVWDDHY-UHFFFAOYSA-N
XLogP3.86
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(azepane-1-carbonyl)-2,9-dimethylpyrido[3,4-b]indol-1-one
CID 4991801
6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid
CID 177481591
2-amino-1-methyl-3-(piperidine-1-carbonyl)quinolin-4-one
CID 13143651
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one
CID 4625262
5-methyl-3-(4-methylphenyl)-1-(4-phenylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one
CID 20856106
1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide
CID 170721777
(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
CID 82300062
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-cyclohexyl-9-methylpyrido[3,4-b]indol-1-one
CID 15990451
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one
CID 20851918
cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone
CID 110801629
5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 18568344

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one?
The IUPAC name of 3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one (CID 141164758) is 3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one.
What is the SMILES notation for 3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one?
The canonical SMILES for 3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one is Cn1c2ccccc2c2c(C(=O)N3CCCC3)c(F)n(-c3ccccc3)c(=O)c21.
What is the InChIKey of 3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one?
The InChIKey is OOLWUXZSVWDDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-25-17-12-6-5-11-16(17)18-19(22(28)26-13-7-8-14-26)21(24)27(23(29)20(18)25)15-9-3-2-4-10-15/h2-6,9-12H,7-8,13-14H2,1H3.
What are the key properties of 3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one?
3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one has a molecular weight of 389.43 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one is sourced from PubChem (CID 141164758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).