7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C23H22N6O3 — CID 58575354

IUPAC7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cccnc31)[nH]c(=O)c1nnc(C3CCOCC3)n12
InChIInChI=1S/C23H22N6O3/c1-13-11-18-17(12-16(13)23(31)28-8-4-14-3-2-7-24-19(14)28)25-22(30)21-27-26-20(29(18)21)15-5-9-32-10-6-15/h2-3,7,11-12,15H,4-6,8-10H2,1H3,(H,25,30)
InChIKeyAAQHEHAHOJEQNU-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.37
Rot. Bonds2

About 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 58575354) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID58575354
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cccnc31)[nH]c(=O)c1nnc(C3CCOCC3)n12
InChIInChI=1S/C23H22N6O3/c1-13-11-18-17(12-16(13)23(31)28-8-4-14-3-2-7-24-19(14)28)25-22(30)21-27-26-20(29(18)21)15-5-9-32-10-6-15/h2-3,7,11-12,15H,4-6,8-10H2,1H3,(H,25,30)
InChIKeyAAQHEHAHOJEQNU-UHFFFAOYSA-N
XLogP2.37
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one with MolForge

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Related Compounds

8-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58574968
8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58575482
7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58574967
8-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58575260
7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 46910070
2-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carbonyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile
CID 58575198
7-(5-bromo-3,3-dimethyl-2H-pyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one;methane
CID 160853507
7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 46910388
7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575586
7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58574947
8-methyl-1-(oxan-4-yl)-7-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575561
7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575017

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 58575354) is 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CCc3cccnc31)[nH]c(=O)c1nnc(C3CCOCC3)n12.
What is the InChIKey of 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is AAQHEHAHOJEQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-13-11-18-17(12-16(13)23(31)28-8-4-14-3-2-7-24-19(14)28)25-22(30)21-27-26-20(29(18)21)15-5-9-32-10-6-15/h2-3,7,11-12,15H,4-6,8-10H2,1H3,(H,25,30).
What are the key properties of 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 430.47 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 58575354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).