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

C24H22FN5O4 — CID 56928710

IUPAC8-fluoro-7-(5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOc1cc2c(cn1)N(C(=O)c1cc3[nH]c(=O)c4cnc(C5CCOCC5)n4c3cc1F)CC2
InChIInChI=1S/C24H22FN5O4/c1-33-21-8-14-2-5-29(19(14)11-26-21)24(32)15-9-17-18(10-16(15)25)30-20(23(31)28-17)12-27-22(30)13-3-6-34-7-4-13/h8-13H,2-7H2,1H3,(H,28,31)
InChIKeyRAGBIQYQGPSRBA-UHFFFAOYSA-N
MW463.47 g/mol
LogP2.82
Rot. Bonds3

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

8-fluoro-7-(5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 56928710) has the molecular formula C24H22FN5O4 and a molecular weight of 463.47 g/mol. Its IUPAC name is 8-fluoro-7-(5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-fluoro-7-(5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID56928710
Molecular FormulaC24H22FN5O4
Molecular Weight463.47 g/mol
Exact Mass463.17
IUPAC Name8-fluoro-7-(5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOc1cc2c(cn1)N(C(=O)c1cc3[nH]c(=O)c4cnc(C5CCOCC5)n4c3cc1F)CC2
InChIInChI=1S/C24H22FN5O4/c1-33-21-8-14-2-5-29(19(14)11-26-21)24(32)15-9-17-18(10-16(15)25)30-20(23(31)28-17)12-27-22(30)13-3-6-34-7-4-13/h8-13H,2-7H2,1H3,(H,28,31)
InChIKeyRAGBIQYQGPSRBA-UHFFFAOYSA-N
XLogP2.82
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

8-[6-[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]pyridin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 66894029
8-[6-[[5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]pyridin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 69029783
3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-[3-(1-methylimidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 118453900
3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide
CID 118453972
3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide
CID 118463589
3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide
CID 118463808
US11401256, Example 44
CID 137526850
1-cyclohexyl-8-methoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 59198590
N-[5-fluoro-2-[4-(sulfamoylamino)piperidin-1-yl]phenyl]-8-(furan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 176136997
US11401256, Example 26
CID 137525809
US11401256, Example 13
CID 137526289
US11401256, Example 29
CID 137531974

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-(5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 8-fluoro-7-(5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 56928710) is 8-fluoro-7-(5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 8-fluoro-7-(5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 8-fluoro-7-(5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is COc1cc2c(cn1)N(C(=O)c1cc3[nH]c(=O)c4cnc(C5CCOCC5)n4c3cc1F)CC2.
What is the InChIKey of 8-fluoro-7-(5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is RAGBIQYQGPSRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O4/c1-33-21-8-14-2-5-29(19(14)11-26-21)24(32)15-9-17-18(10-16(15)25)30-20(23(31)28-17)12-27-22(30)13-3-6-34-7-4-13/h8-13H,2-7H2,1H3,(H,28,31).
What are the key properties of 8-fluoro-7-(5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
8-fluoro-7-(5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 463.47 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-(5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 56928710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).