7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

C24H23N5O3 — CID 58575586

IUPAC7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1c(C(=O)N2CCc3cccnc32)ccc2c1[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C24H23N5O3/c1-14-17(24(31)28-10-6-15-3-2-9-25-21(15)28)4-5-18-20(14)27-23(30)19-13-26-22(29(18)19)16-7-11-32-12-8-16/h2-5,9,13,16H,6-8,10-12H2,1H3,(H,27,30)
InChIKeyONMMIKPFHJZFNW-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.98
Rot. Bonds2

About 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 58575586) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID58575586
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1c(C(=O)N2CCc3cccnc32)ccc2c1[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C24H23N5O3/c1-14-17(24(31)28-10-6-15-3-2-9-25-21(15)28)4-5-18-20(14)27-23(30)19-13-26-22(29(18)19)16-7-11-32-12-8-16/h2-5,9,13,16H,6-8,10-12H2,1H3,(H,27,30)
InChIKeyONMMIKPFHJZFNW-UHFFFAOYSA-N
XLogP2.98
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58574988
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
7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58574947
7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 56928918
8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
CID 160864509
8-methyl-1-(oxan-4-yl)-7-(1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575500
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
7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575009
8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
CID 157372122
8-methyl-1-(oxan-4-yl)-7-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575540
7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575147

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 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) is 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1c(C(=O)N2CCc3cccnc32)ccc2c1[nH]c(=O)c1cnc(C3CCOCC3)n12.
What is the InChIKey of 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is ONMMIKPFHJZFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-14-17(24(31)28-10-6-15-3-2-9-25-21(15)28)4-5-18-20(14)27-23(30)19-13-26-22(29(18)19)16-7-11-32-12-8-16/h2-5,9,13,16H,6-8,10-12H2,1H3,(H,27,30).
What are the key properties of 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 429.48 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 58575586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).