(3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide

C27H28F3N3O2 — CID 92704301

IUPAC(3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESC[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H28F3N3O2/c1-26(25(35)31-20-11-4-2-3-5-12-20)17-32-22-14-7-6-9-18(22)15-23(32)24(34)33(26)21-13-8-10-19(16-21)27(28,29)30/h6-10,13-16,20H,2-5,11-12,17H2,1H3,(H,31,35)/t26-/m1/s1
InChIKeyZTFBSUWWQZUYQD-AREMUKBSSA-N
MW483.53 g/mol
LogP5.92
Rot. Bonds3

About (3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide

(3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92704301) has the molecular formula C27H28F3N3O2 and a molecular weight of 483.53 g/mol. Its IUPAC name is (3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92704301
Molecular FormulaC27H28F3N3O2
Molecular Weight483.53 g/mol
Exact Mass483.21
IUPAC Name(3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESC[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H28F3N3O2/c1-26(25(35)31-20-11-4-2-3-5-12-20)17-32-22-14-7-6-9-18(22)15-23(32)24(34)33(26)21-13-8-10-19(16-21)27(28,29)30/h6-10,13-16,20H,2-5,11-12,17H2,1H3,(H,31,35)/t26-/m1/s1
InChIKeyZTFBSUWWQZUYQD-AREMUKBSSA-N
XLogP5.92
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 55.92
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-cyclopentyl-2-(3-ethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704220
(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-cyclooctyl-2-(2,3-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704337
(3R)-N-cyclooctyl-7-methoxy-2-(3-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704403
(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
N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273111
(3R)-N-cyclopentyl-2-cyclopropyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903630
N-cyclopentyl-2-(2,5-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756865
(3R)-2-(3-chlorophenyl)-N-cyclopentyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739779

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92704301) is (3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide is C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is ZTFBSUWWQZUYQD-AREMUKBSSA-N. The full InChI is InChI=1S/C27H28F3N3O2/c1-26(25(35)31-20-11-4-2-3-5-12-20)17-32-22-14-7-6-9-18(22)15-23(32)24(34)33(26)21-13-8-10-19(16-21)27(28,29)30/h6-10,13-16,20H,2-5,11-12,17H2,1H3,(H,31,35)/t26-/m1/s1.
What are the key properties of (3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cycloheptyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92704301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).