4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one

C24H23FN4O2 — CID 4625262

IUPAC4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one
SMILESCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2c3ccccc3n(C)c2c1=O
InChIInChI=1S/C24H23FN4O2/c1-26-15-19(21-18-5-3-4-6-20(18)27(2)22(21)24(26)31)23(30)29-13-11-28(12-14-29)17-9-7-16(25)8-10-17/h3-10,15H,11-14H2,1-2H3
InChIKeyVCJSUHCULHUMRU-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.13
Rot. Bonds2

About 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one

4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one (PubChem CID 4625262) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one
PubChem CID4625262
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one
SMILESCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2c3ccccc3n(C)c2c1=O
InChIInChI=1S/C24H23FN4O2/c1-26-15-19(21-18-5-3-4-6-20(18)27(2)22(21)24(26)31)23(30)29-13-11-28(12-14-29)17-9-7-16(25)8-10-17/h3-10,15H,11-14H2,1-2H3
InChIKeyVCJSUHCULHUMRU-UHFFFAOYSA-N
XLogP3.13
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one with MolForge

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Related Compounds

4-(azepane-1-carbonyl)-2,9-dimethylpyrido[3,4-b]indol-1-one
CID 4991801
5-methyl-3-(4-methylphenyl)-1-(4-phenylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one
CID 20856106
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-cyclohexyl-9-methylpyrido[3,4-b]indol-1-one
CID 15990451
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one
CID 5322859
2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one
CID 20851918
5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one
CID 50829319
ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate
CID 3243588
1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 17191275
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-cyclopentyl-9-methylpyrido[3,4-b]indol-1-one
CID 5322962
3-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one
CID 141164758
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78781351

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one (CID 4625262) is 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one is Cn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2c3ccccc3n(C)c2c1=O.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one?
The InChIKey is VCJSUHCULHUMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-26-15-19(21-18-5-3-4-6-20(18)27(2)22(21)24(26)31)23(30)29-13-11-28(12-14-29)17-9-7-16(25)8-10-17/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one?
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one has a molecular weight of 418.47 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one is sourced from PubChem (CID 4625262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).