1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide

C23H21N5O2 — CID 138805970

IUPAC1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide
SMILESC[C@@H]1CNC(=O)c2cc3cc(NC(=O)c4cnn(Cc5ccccc5)c4)ccc3n21
InChIInChI=1S/C23H21N5O2/c1-15-11-24-23(30)21-10-17-9-19(7-8-20(17)28(15)21)26-22(29)18-12-25-27(14-18)13-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,24,30)(H,26,29)/t15-/m1/s1
InChIKeyDWRUMXZDNGCUDK-OAHLLOKOSA-N
MW399.45 g/mol
LogP3.44
Rot. Bonds4

About 1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide

1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide (PubChem CID 138805970) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide
PubChem CID138805970
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide
SMILESC[C@@H]1CNC(=O)c2cc3cc(NC(=O)c4cnn(Cc5ccccc5)c4)ccc3n21
InChIInChI=1S/C23H21N5O2/c1-15-11-24-23(30)21-10-17-9-19(7-8-20(17)28(15)21)26-22(29)18-12-25-27(14-18)13-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,24,30)(H,26,29)/t15-/m1/s1
InChIKeyDWRUMXZDNGCUDK-OAHLLOKOSA-N
XLogP3.44
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide (CID 138805970) is 1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide is C[C@@H]1CNC(=O)c2cc3cc(NC(=O)c4cnn(Cc5ccccc5)c4)ccc3n21.
What is the InChIKey of 1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide?
The InChIKey is DWRUMXZDNGCUDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15-11-24-23(30)21-10-17-9-19(7-8-20(17)28(15)21)26-22(29)18-12-25-27(14-18)13-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,24,30)(H,26,29)/t15-/m1/s1.
What are the key properties of 1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide?
1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4R)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-8-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 138805970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).