3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine

C25H20N6O — CID 59137340

IUPAC3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine
SMILESCOc1cc(-c2nc(-c3cccc(-c4ccncc4)c3)[nH]c2-c2ccncc2)cnc1N
InChIInChI=1S/C25H20N6O/c1-32-21-14-20(15-29-24(21)26)23-22(17-7-11-28-12-8-17)30-25(31-23)19-4-2-3-18(13-19)16-5-9-27-10-6-16/h2-15H,1H3,(H2,26,29)(H,30,31)
InChIKeySOILMXYWXGISHZ-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.85
Rot. Bonds5

About 3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine

3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine (PubChem CID 59137340) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is 3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine
PubChem CID59137340
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC Name3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine
SMILESCOc1cc(-c2nc(-c3cccc(-c4ccncc4)c3)[nH]c2-c2ccncc2)cnc1N
InChIInChI=1S/C25H20N6O/c1-32-21-14-20(15-29-24(21)26)23-22(17-7-11-28-12-8-17)30-25(31-23)19-4-2-3-18(13-19)16-5-9-27-10-6-16/h2-15H,1H3,(H2,26,29)(H,30,31)
InChIKeySOILMXYWXGISHZ-UHFFFAOYSA-N
XLogP4.85
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine (CID 59137340) is 3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine is COc1cc(-c2nc(-c3cccc(-c4ccncc4)c3)[nH]c2-c2ccncc2)cnc1N.
What is the InChIKey of 3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine?
The InChIKey is SOILMXYWXGISHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c1-32-21-14-20(15-29-24(21)26)23-22(17-7-11-28-12-8-17)30-25(31-23)19-4-2-3-18(13-19)16-5-9-27-10-6-16/h2-15H,1H3,(H2,26,29)(H,30,31).
What are the key properties of 3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine?
3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine has a molecular weight of 420.48 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 59137340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).