N-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

C20H17N5O2 — CID 53246692

IUPACN-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3n21
InChIInChI=1S/C20H17N5O2/c1-11-10-21-19(27)17-8-12-6-7-13(9-16(12)25(11)17)18(26)24-20-22-14-4-2-3-5-15(14)23-20/h2-9,11H,10H2,1H3,(H,21,27)(H2,22,23,24,26)
InChIKeyQLEJMZSGBHLAJO-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.07
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

N-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 53246692) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID53246692
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3n21
InChIInChI=1S/C20H17N5O2/c1-11-10-21-19(27)17-8-12-6-7-13(9-16(12)25(11)17)18(26)24-20-22-14-4-2-3-5-15(14)23-20/h2-9,11H,10H2,1H3,(H,21,27)(H2,22,23,24,26)
InChIKeyQLEJMZSGBHLAJO-UHFFFAOYSA-N
XLogP3.07
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 53246692) is N-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is CC1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3n21.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is QLEJMZSGBHLAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-11-10-21-19(27)17-8-12-6-7-13(9-16(12)25(11)17)18(26)24-20-22-14-4-2-3-5-15(14)23-20/h2-9,11H,10H2,1H3,(H,21,27)(H2,22,23,24,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
N-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 53246692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).