3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline

C38H29F7N8O2 — CID 158132994

IUPAC3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline
SMILESCc1ccncc1-c1nc(C)c2c(C)nc3ccc(OC(F)(F)F)cc3n12.Cc1nc(F)ccc1-c1nc(C)c2c(C)nc3ccc(OC(F)(F)F)cc3n12
InChIInChI=1S/C19H14F4N4O.C19H15F3N4O/c1-9-13(5-7-16(20)25-9)18-26-11(3)17-10(2)24-14-6-4-12(28-19(21,22)23)8-15(14)27(17)18;1-10-6-7-23-9-14(10)18-25-12(3)17-11(2)24-15-5-4-13(27-19(20,21)22)8-16(15)26(17)18/h4-8H,1-3H3;4-9H,1-3H3
InChIKeyFSZWIMHMIDTRMY-UHFFFAOYSA-N
MW762.69 g/mol
LogP9.68
Rot. Bonds4

About 3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline

3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline (PubChem CID 158132994) has the molecular formula C38H29F7N8O2 and a molecular weight of 762.69 g/mol. Its IUPAC name is 3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline
PubChem CID158132994
Molecular FormulaC38H29F7N8O2
Molecular Weight762.69 g/mol
Exact Mass762.23
IUPAC Name3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline
SMILESCc1ccncc1-c1nc(C)c2c(C)nc3ccc(OC(F)(F)F)cc3n12.Cc1nc(F)ccc1-c1nc(C)c2c(C)nc3ccc(OC(F)(F)F)cc3n12
InChIInChI=1S/C19H14F4N4O.C19H15F3N4O/c1-9-13(5-7-16(20)25-9)18-26-11(3)17-10(2)24-14-6-4-12(28-19(21,22)23)8-15(14)27(17)18;1-10-6-7-23-9-14(10)18-25-12(3)17-11(2)24-15-5-4-13(27-19(20,21)22)8-16(15)26(17)18/h4-8H,1-3H3;4-9H,1-3H3
InChIKeyFSZWIMHMIDTRMY-UHFFFAOYSA-N
XLogP9.68
TPSA104.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.69
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline with MolForge

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Related Compounds

Raf265
CID 11656518
Omeprazole sulfenamide
CID 5311467
8-Fluoro-6-Methoxy-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)imidazo[1,5-A]quinoxaline
CID 42630191
8-Fluoro-6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630192
8-(Difluoromethoxy)-6-methoxy-3,4-dimethyl-1-(2-methylpyridin-3-yl)imidazo[1,5-a]quinoxaline
CID 49821396
4-[6-Methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine
CID 56648951
1,8-Bis(2-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
CID 127038170
8-(6-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline
CID 127038511
8-(6-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-3-ylimidazo[1,5-a]quinoxaline
CID 127038512
1-(6-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-4-ylimidazo[1,5-a]quinoxaline
CID 127038513
1-(6-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline
CID 127038868
1-(2-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline
CID 127038869

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline?
The IUPAC name of 3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline (CID 158132994) is 3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline?
The canonical SMILES for 3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline is Cc1ccncc1-c1nc(C)c2c(C)nc3ccc(OC(F)(F)F)cc3n12.Cc1nc(F)ccc1-c1nc(C)c2c(C)nc3ccc(OC(F)(F)F)cc3n12.
What is the InChIKey of 3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline?
The InChIKey is FSZWIMHMIDTRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O.C19H15F3N4O/c1-9-13(5-7-16(20)25-9)18-26-11(3)17-10(2)24-14-6-4-12(28-19(21,22)23)8-15(14)27(17)18;1-10-6-7-23-9-14(10)18-25-12(3)17-11(2)24-15-5-4-13(27-19(20,21)22)8-16(15)26(17)18/h4-8H,1-3H3;4-9H,1-3H3.
What are the key properties of 3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline?
3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline has a molecular weight of 762.69 g/mol, XLogP of 9.68, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(4-methyl-3-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline;1-(6-fluoro-2-methyl-3-pyridinyl)-3,4-dimethyl-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 158132994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).