4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol

C19H20FN3O3 — CID 170036425

IUPAC4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol
SMILESCCc1cc2nc(-c3cc(C)c(O)c(O)c3F)n(C3(C)COC3)c2cn1
InChIInChI=1S/C19H20FN3O3/c1-4-11-6-13-14(7-21-11)23(19(3)8-26-9-19)18(22-13)12-5-10(2)16(24)17(25)15(12)20/h5-7,24-25H,4,8-9H2,1-3H3
InChIKeyUQCBCVUDWHECSM-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.26
Rot. Bonds3

About 4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol

4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol (PubChem CID 170036425) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol.

Molecular Properties

Compound Name4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol
PubChem CID170036425
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol
SMILESCCc1cc2nc(-c3cc(C)c(O)c(O)c3F)n(C3(C)COC3)c2cn1
InChIInChI=1S/C19H20FN3O3/c1-4-11-6-13-14(7-21-11)23(19(3)8-26-9-19)18(22-13)12-5-10(2)16(24)17(25)15(12)20/h5-7,24-25H,4,8-9H2,1-3H3
InChIKeyUQCBCVUDWHECSM-UHFFFAOYSA-N
XLogP3.26
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

4-[5-(ethylamino)-1-(3-methyloxetan-3-yl)benzimidazol-2-yl]-3-fluoro-6-methylbenzene-1,2-diol
CID 170036486
4-[5-(benzylamino)-1-(3-methyloxetan-3-yl)benzimidazol-2-yl]-3-fluoro-6-methylbenzene-1,2-diol
CID 170036476
3-(difluoromethoxy)-6-methyl-4-[1-(3-methyloxetan-3-yl)benzimidazol-2-yl]benzene-1,2-diol
CID 170036420
3-fluoro-6-methoxy-4-[1-(3-methyloxetan-3-yl)-6-(1-methylpyrazol-4-yl)benzimidazol-2-yl]benzene-1,2-diol
CID 162531160
1-[2-(2-fluoro-3,4-dihydroxy-5-methoxyphenyl)-1-(3-methyloxetan-3-yl)benzimidazol-5-yl]imidazolidin-2-one
CID 162531094
3-[2-(2-fluoro-3,4-dihydroxy-5-methoxyphenyl)-1-(3-methyloxetan-3-yl)benzimidazol-5-yl]-1,3-oxazolidin-2-one
CID 168854482
2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide
CID 170036391
2-[2-fluoro-5-methoxy-3,4-bis(phenylmethoxy)phenyl]-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxylic acid
CID 162531035
N-(4,4-difluorocyclohexyl)-2-(2-fluoro-3,4-dihydroxy-5-methoxyphenyl)-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide
CID 162530836
2-[2-fluoro-5-methoxy-3,4-bis(phenylmethoxy)phenyl]-3-(3-methyloxetan-3-yl)benzimidazole-5-carbohydrazide
CID 162531163
2-fluoro-5-methoxy-7-[1-(3-methyloxetan-3-yl)benzimidazol-2-yl]-1,3-benzodioxol-4-ol
CID 162530922
2-[2-[2-fluoro-3,4-bis(phenylmethoxy)-5-prop-2-enoxyphenyl]-3-(3-methyloxetan-3-yl)benzimidazol-5-yl]-1,3,4-oxadiazole
CID 163939556

Frequently Asked Questions

What is the IUPAC name of 4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol?
The IUPAC name of 4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol (CID 170036425) is 4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol.
What is the SMILES notation for 4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol?
The canonical SMILES for 4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol is CCc1cc2nc(-c3cc(C)c(O)c(O)c3F)n(C3(C)COC3)c2cn1.
What is the InChIKey of 4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol?
The InChIKey is UQCBCVUDWHECSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-4-11-6-13-14(7-21-11)23(19(3)8-26-9-19)18(22-13)12-5-10(2)16(24)17(25)15(12)20/h5-7,24-25H,4,8-9H2,1-3H3.
What are the key properties of 4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol?
4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol has a molecular weight of 357.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-ethyl-3-(3-methyloxetan-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-fluoro-6-methylbenzene-1,2-diol is sourced from PubChem (CID 170036425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).