N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C24H24FN3O2 — CID 50756840

IUPACN-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C24H24FN3O2/c1-24(23(30)26-18-9-3-4-10-18)15-27-20-12-5-2-7-16(20)13-21(27)22(29)28(24)19-11-6-8-17(25)14-19/h2,5-8,11-14,18H,3-4,9-10,15H2,1H3,(H,26,30)
InChIKeyPELASBJMOLCOKA-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.26
Rot. Bonds3

About N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 50756840) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID50756840
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C24H24FN3O2/c1-24(23(30)26-18-9-3-4-10-18)15-27-20-12-5-2-7-16(20)13-21(27)22(29)28(24)19-11-6-8-17(25)14-19/h2,5-8,11-14,18H,3-4,9-10,15H2,1H3,(H,26,30)
InChIKeyPELASBJMOLCOKA-UHFFFAOYSA-N
XLogP4.26
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739684
(3R)-N-cyclooctyl-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704359
(3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704301
(3R)-N-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704220
(11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721371
(3S)-N-cyclopentyl-2-(3,5-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704215
(3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903624
(3R)-2-(1,3-benzodioxol-5-yl)-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903622
(3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739495
N-cyclopentyl-2-(4-ethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756850
(3R)-N-cyclooctyl-7-methoxy-2-(3-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704403
(3R)-N-cyclooctyl-2-(2,3-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704337

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 50756840) is N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CC1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(F)c1.
What is the InChIKey of N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is PELASBJMOLCOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-24(23(30)26-18-9-3-4-10-18)15-27-20-12-5-2-7-16(20)13-21(27)22(29)28(24)19-11-6-8-17(25)14-19/h2,5-8,11-14,18H,3-4,9-10,15H2,1H3,(H,26,30).
What are the key properties of N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 50756840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).