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

C24H22FN5O3 — CID 46910660

IUPAC7-(5-fluoro-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(F)cnc31)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C24H22FN5O3/c1-13-8-19-18(10-17(13)24(32)29-5-2-15-9-16(25)11-26-21(15)29)28-23(31)20-12-27-22(30(19)20)14-3-6-33-7-4-14/h8-12,14H,2-7H2,1H3,(H,28,31)
InChIKeyQJBXKWCMHNKZIQ-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.12
Rot. Bonds2

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

7-(5-fluoro-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 46910660) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(5-fluoro-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID46910660
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name7-(5-fluoro-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(F)cnc31)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C24H22FN5O3/c1-13-8-19-18(10-17(13)24(32)29-5-2-15-9-16(25)11-26-21(15)29)28-23(31)20-12-27-22(30(19)20)14-3-6-33-7-4-14/h8-12,14H,2-7H2,1H3,(H,28,31)
InChIKeyQJBXKWCMHNKZIQ-UHFFFAOYSA-N
XLogP3.12
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(5-fluoro-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 46910660) is 7-(5-fluoro-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(5-fluoro-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(5-fluoro-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CCc3cc(F)cnc31)[nH]c(=O)c1cnc(C3CCOCC3)n12.
What is the InChIKey of 7-(5-fluoro-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is QJBXKWCMHNKZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-13-8-19-18(10-17(13)24(32)29-5-2-15-9-16(25)11-26-21(15)29)28-23(31)20-12-27-22(30(19)20)14-3-6-33-7-4-14/h8-12,14H,2-7H2,1H3,(H,28,31).
What are the key properties of 7-(5-fluoro-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(5-fluoro-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 447.47 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 46910660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).