3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C20H15F3N4O — CID 123315397

IUPAC3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCn1cnc2c(-c3ccncc3OCc3ccccc3)c(C(F)(F)F)cnc21
InChIInChI=1S/C20H15F3N4O/c1-27-12-26-18-17(15(20(21,22)23)9-25-19(18)27)14-7-8-24-10-16(14)28-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyYYIARKWAOIUXTI-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.63
Rot. Bonds4

About 3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine

3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 123315397) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID123315397
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCn1cnc2c(-c3ccncc3OCc3ccccc3)c(C(F)(F)F)cnc21
InChIInChI=1S/C20H15F3N4O/c1-27-12-26-18-17(15(20(21,22)23)9-25-19(18)27)14-7-8-24-10-16(14)28-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyYYIARKWAOIUXTI-UHFFFAOYSA-N
XLogP4.63
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 123315397) is 3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is Cn1cnc2c(-c3ccncc3OCc3ccccc3)c(C(F)(F)F)cnc21.
What is the InChIKey of 3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is YYIARKWAOIUXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-27-12-26-18-17(15(20(21,22)23)9-25-19(18)27)14-7-8-24-10-16(14)28-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3.
What are the key properties of 3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 384.36 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 123315397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).