8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one

C24H23F3N6O3 — CID 58575507

IUPAC8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3[nH]nc(C(F)(F)F)c3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C24H23F3N6O3/c1-12-8-18-17(29-22(34)19-10-28-21(33(18)19)13-3-6-36-7-4-13)9-14(12)23(35)32-5-2-16-15(11-32)20(31-30-16)24(25,26)27/h8-10,13H,2-7,11H2,1H3,(H,29,34)(H,30,31)
InChIKeyCUOANUFYYHVIKZ-UHFFFAOYSA-N
MW500.48 g/mol
LogP3.32
Rot. Bonds2

About 8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one

8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 58575507) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is 8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID58575507
Molecular FormulaC24H23F3N6O3
Molecular Weight500.48 g/mol
Exact Mass500.18
IUPAC Name8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3[nH]nc(C(F)(F)F)c3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C24H23F3N6O3/c1-12-8-18-17(29-22(34)19-10-28-21(33(18)19)13-3-6-36-7-4-13)9-14(12)23(35)32-5-2-16-15(11-32)20(31-30-16)24(25,26)27/h8-10,13H,2-7,11H2,1H3,(H,29,34)(H,30,31)
InChIKeyCUOANUFYYHVIKZ-UHFFFAOYSA-N
XLogP3.32
TPSA108.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one with MolForge

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Related Compounds

7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575542
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
6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
CID 58575395
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
7-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575324
7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575011
7-(5-chloro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 46910392
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-7-(4-methyl-1,3-dihydroisoindole-2-carbonyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575436
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-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58574947
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 8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one (CID 58575507) is 8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CCc3[nH]nc(C(F)(F)F)c3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12.
What is the InChIKey of 8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is CUOANUFYYHVIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O3/c1-12-8-18-17(29-22(34)19-10-28-21(33(18)19)13-3-6-36-7-4-13)9-14(12)23(35)32-5-2-16-15(11-32)20(31-30-16)24(25,26)27/h8-10,13H,2-7,11H2,1H3,(H,29,34)(H,30,31).
What are the key properties of 8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one?
8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 500.48 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 58575507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).