6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline

C25H20FN5O — CID 44545648

IUPAC6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline
SMILESCOc1ccc(Cc2nc(-c3ccc4nccnc4c3)c(-c3cccc(C)n3)[nH]2)cc1F
InChIInChI=1S/C25H20FN5O/c1-15-4-3-5-20(29-15)25-24(17-7-8-19-21(14-17)28-11-10-27-19)30-23(31-25)13-16-6-9-22(32-2)18(26)12-16/h3-12,14H,13H2,1-2H3,(H,30,31)
InChIKeyNJSDOTCVHHCDTE-UHFFFAOYSA-N
MW425.47 g/mol
LogP5.13
Rot. Bonds5

About 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline

6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline (PubChem CID 44545648) has the molecular formula C25H20FN5O and a molecular weight of 425.47 g/mol. Its IUPAC name is 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline.

Molecular Properties

Compound Name6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline
PubChem CID44545648
Molecular FormulaC25H20FN5O
Molecular Weight425.47 g/mol
Exact Mass425.17
IUPAC Name6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline
SMILESCOc1ccc(Cc2nc(-c3ccc4nccnc4c3)c(-c3cccc(C)n3)[nH]2)cc1F
InChIInChI=1S/C25H20FN5O/c1-15-4-3-5-20(29-15)25-24(17-7-8-19-21(14-17)28-11-10-27-19)30-23(31-25)13-16-6-9-22(32-2)18(26)12-16/h3-12,14H,13H2,1-2H3,(H,30,31)
InChIKeyNJSDOTCVHHCDTE-UHFFFAOYSA-N
XLogP5.13
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline?
The IUPAC name of 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline (CID 44545648) is 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline.
What is the SMILES notation for 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline?
The canonical SMILES for 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline is COc1ccc(Cc2nc(-c3ccc4nccnc4c3)c(-c3cccc(C)n3)[nH]2)cc1F.
What is the InChIKey of 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline?
The InChIKey is NJSDOTCVHHCDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O/c1-15-4-3-5-20(29-15)25-24(17-7-8-19-21(14-17)28-11-10-27-19)30-23(31-25)13-16-6-9-22(32-2)18(26)12-16/h3-12,14H,13H2,1-2H3,(H,30,31).
What are the key properties of 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline?
6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline has a molecular weight of 425.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline is sourced from PubChem (CID 44545648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).