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

C32H33N3O2 — CID 92706490

IUPAC(3R)-N-cyclohexyl-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C(=O)NC2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C32H33N3O2/c1-23-11-10-12-24(19-23)21-35-30(36)29-20-25-13-8-9-18-28(25)34(29)22-32(35,26-14-4-2-5-15-26)31(37)33-27-16-6-3-7-17-27/h2,4-5,8-15,18-20,27H,3,6-7,16-17,21-22H2,1H3,(H,33,37)/t32-/m0/s1
InChIKeyFXAYAPBBKZNPPY-YTTGMZPUSA-N
MW491.64 g/mol
LogP5.95
Rot. Bonds5

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

(3R)-N-cyclohexyl-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92706490) has the molecular formula C32H33N3O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92706490
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC Name(3R)-N-cyclohexyl-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C(=O)NC2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C32H33N3O2/c1-23-11-10-12-24(19-23)21-35-30(36)29-20-25-13-8-9-18-28(25)34(29)22-32(35,26-14-4-2-5-15-26)31(37)33-27-16-6-3-7-17-27/h2,4-5,8-15,18-20,27H,3,6-7,16-17,21-22H2,1H3,(H,33,37)/t32-/m0/s1
InChIKeyFXAYAPBBKZNPPY-YTTGMZPUSA-N
XLogP5.95
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cyclooctyl-2-[(3-fluorophenyl)methyl]-7-methyl-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98280395
(3S)-N-cycloheptyl-6,9-dimethoxy-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98280312
(3S)-N-cyclooctyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98280348
N-cycloheptyl-2-[(3-fluorophenyl)methyl]-7-methoxy-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 20919189
N-cycloheptyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523330
(3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739495
N-cyclopentyl-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756892
10-[(3-bromophenyl)methyl]-N-cyclohexyl-9-oxo-11-phenyl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 11678522
(11R)-N-cyclooctyl-10-[(4-methoxyphenyl)methyl]-9-oxo-11-phenyl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 98269827
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739445
(3R)-2-[(2-chlorophenyl)methyl]-N-cycloheptyl-7-methoxy-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98221147
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704200

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92706490) is (3R)-N-cyclohexyl-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide is Cc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C(=O)NC2CCCCC2)c2ccccc2)c1.
What is the InChIKey of (3R)-N-cyclohexyl-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is FXAYAPBBKZNPPY-YTTGMZPUSA-N. The full InChI is InChI=1S/C32H33N3O2/c1-23-11-10-12-24(19-23)21-35-30(36)29-20-25-13-8-9-18-28(25)34(29)22-32(35,26-14-4-2-5-15-26)31(37)33-27-16-6-3-7-17-27/h2,4-5,8-15,18-20,27H,3,6-7,16-17,21-22H2,1H3,(H,33,37)/t32-/m0/s1.
What are the key properties of (3R)-N-cyclohexyl-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N-cyclohexyl-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 5.95, 5 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-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92706490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).