methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate

C14H9F3N4O2 — CID 167870504

IUPACmethyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2nc(-c3ccc(C(F)(F)F)cn3)[nH]c12
InChIInChI=1S/C14H9F3N4O2/c1-23-13(22)8-4-5-18-12-10(8)20-11(21-12)9-3-2-7(6-19-9)14(15,16)17/h2-6H,1H3,(H,18,20,21)
InChIKeyVPADRWSHGHCRMW-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.83
Rot. Bonds2

About methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate

methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate (PubChem CID 167870504) has the molecular formula C14H9F3N4O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate
PubChem CID167870504
Molecular FormulaC14H9F3N4O2
Molecular Weight322.25 g/mol
Exact Mass322.07
IUPAC Namemethyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2nc(-c3ccc(C(F)(F)F)cn3)[nH]c12
InChIInChI=1S/C14H9F3N4O2/c1-23-13(22)8-4-5-18-12-10(8)20-11(21-12)9-3-2-7(6-19-9)14(15,16)17/h2-6H,1H3,(H,18,20,21)
InChIKeyVPADRWSHGHCRMW-UHFFFAOYSA-N
XLogP2.83
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate?
The IUPAC name of methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate (CID 167870504) is methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate is COC(=O)c1ccnc2nc(-c3ccc(C(F)(F)F)cn3)[nH]c12.
What is the InChIKey of methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate?
The InChIKey is VPADRWSHGHCRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2/c1-23-13(22)8-4-5-18-12-10(8)20-11(21-12)9-3-2-7(6-19-9)14(15,16)17/h2-6H,1H3,(H,18,20,21).
What are the key properties of methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate?
methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate has a molecular weight of 322.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate is sourced from PubChem (CID 167870504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).