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

C26H28FN3O2 — CID 92739495

IUPAC(3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESC[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C26H28FN3O2/c1-26(25(32)28-21-11-3-2-4-12-21)17-29-22-13-6-5-9-19(22)15-23(29)24(31)30(26)16-18-8-7-10-20(27)14-18/h5-10,13-15,21H,2-4,11-12,16-17H2,1H3,(H,28,32)/t26-/m1/s1
InChIKeyNQTPQARUJDIQJH-AREMUKBSSA-N
MW433.53 g/mol
LogP4.64
Rot. Bonds4

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

(3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92739495) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92739495
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC Name(3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESC[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C26H28FN3O2/c1-26(25(32)28-21-11-3-2-4-12-21)17-29-22-13-6-5-9-19(22)15-23(29)24(31)30(26)16-18-8-7-10-20(27)14-18/h5-10,13-15,21H,2-4,11-12,16-17H2,1H3,(H,28,32)/t26-/m1/s1
InChIKeyNQTPQARUJDIQJH-AREMUKBSSA-N
XLogP4.64
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523330
N-cyclopentyl-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756892
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739445
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704200
N-cycloheptyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273123
2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756856
(3S)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739693
N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273111
(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739922
(3R)-N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739684
N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756840
(3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92721776

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92739495) is (3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(F)c1.
What is the InChIKey of (3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is NQTPQARUJDIQJH-AREMUKBSSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-26(25(32)28-21-11-3-2-4-12-21)17-29-22-13-6-5-9-19(22)15-23(29)24(31)30(26)16-18-8-7-10-20(27)14-18/h5-10,13-15,21H,2-4,11-12,16-17H2,1H3,(H,28,32)/t26-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92739495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).