8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline

C22H20F2N4O — CID 164611233

IUPAC8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline
SMILESCc1nc(C2CCOCC2)n2c1cnc1ccc(-c3cncc(C(F)F)c3)cc12
InChIInChI=1S/C22H20F2N4O/c1-13-20-12-26-18-3-2-15(16-8-17(21(23)24)11-25-10-16)9-19(18)28(20)22(27-13)14-4-6-29-7-5-14/h2-3,8-12,14,21H,4-7H2,1H3
InChIKeyFUCGVOYZRSDCPC-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.08
Rot. Bonds3

About 8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline

8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline (PubChem CID 164611233) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline
PubChem CID164611233
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline
SMILESCc1nc(C2CCOCC2)n2c1cnc1ccc(-c3cncc(C(F)F)c3)cc12
InChIInChI=1S/C22H20F2N4O/c1-13-20-12-26-18-3-2-15(16-8-17(21(23)24)11-25-10-16)9-19(18)28(20)22(27-13)14-4-6-29-7-5-14/h2-3,8-12,14,21H,4-7H2,1H3
InChIKeyFUCGVOYZRSDCPC-UHFFFAOYSA-N
XLogP5.08
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CGS 12066B-parent
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8-[5-(Difluoromethyl)-3-pyridinyl]-1-(2,3,6,7-tetrahydrooxepin-4-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
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1-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-1-methylguanidine
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1,6-Naphthyridine-6(5H)-ethanamine, 2-[[5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-2-pyrimidinyl]amino]-7,8-dihydro-N,N-dimethyl-
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Benzimidazole deriv. 6
CID 5329406
N-ethyl-N-[[2-(4-fluorophenyl)-3-[2-[(1S)-1-phenylethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline?
The IUPAC name of 8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline (CID 164611233) is 8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline?
The canonical SMILES for 8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline is Cc1nc(C2CCOCC2)n2c1cnc1ccc(-c3cncc(C(F)F)c3)cc12.
What is the InChIKey of 8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline?
The InChIKey is FUCGVOYZRSDCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c1-13-20-12-26-18-3-2-15(16-8-17(21(23)24)11-25-10-16)9-19(18)28(20)22(27-13)14-4-6-29-7-5-14/h2-3,8-12,14,21H,4-7H2,1H3.
What are the key properties of 8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline?
8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline has a molecular weight of 394.43 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(difluoromethyl)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 164611233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).