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

C14H10FN3O2 — CID 25179835

IUPACmethyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C14H10FN3O2/c1-20-14(19)10-6-7-16-13-11(10)17-12(18-13)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,16,17,18)
InChIKeyWXNGGFZVBXGDEC-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.55
Rot. Bonds2

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

methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate (PubChem CID 25179835) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate
PubChem CID25179835
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Namemethyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C14H10FN3O2/c1-20-14(19)10-6-7-16-13-11(10)17-12(18-13)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,16,17,18)
InChIKeyWXNGGFZVBXGDEC-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate
CID 167870504
2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 69258409
N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784327
methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate
CID 70304680
N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 90687573
2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938362
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711
2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 140538831
2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582745
2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 138722851
methyl 6-oxo-5H-1,5-naphthyridine-4-carboxylate
CID 146599592
2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 118484953

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate (CID 25179835) is methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate is COC(=O)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12.
What is the InChIKey of methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate?
The InChIKey is WXNGGFZVBXGDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-20-14(19)10-6-7-16-13-11(10)17-12(18-13)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,16,17,18).
What are the key properties of methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate?
methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate has a molecular weight of 271.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate is sourced from PubChem (CID 25179835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).