methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate

C19H15FN4O3S — CID 59424445

IUPACmethyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate
SMILESCOC(=O)c1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)n1C
InChIInChI=1S/C19H15FN4O3S/c1-24-13(19(25)26-2)9-23-18(24)16-8-12-17(28-16)15(5-6-22-12)27-14-4-3-10(21)7-11(14)20/h3-9H,21H2,1-2H3
InChIKeyPMVKCAUDIPNDKD-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.00
Rot. Bonds4

About methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate

methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate (PubChem CID 59424445) has the molecular formula C19H15FN4O3S and a molecular weight of 398.42 g/mol. Its IUPAC name is methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate
PubChem CID59424445
Molecular FormulaC19H15FN4O3S
Molecular Weight398.42 g/mol
Exact Mass398.08
IUPAC Namemethyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate
SMILESCOC(=O)c1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)n1C
InChIInChI=1S/C19H15FN4O3S/c1-24-13(19(25)26-2)9-23-18(24)16-8-12-17(28-16)15(5-6-22-12)27-14-4-3-10(21)7-11(14)20/h3-9H,21H2,1-2H3
InChIKeyPMVKCAUDIPNDKD-UHFFFAOYSA-N
XLogP4.00
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate with MolForge

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Related Compounds

3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 59424431
3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
CID 67471953
1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(pyrrolidine-1-carbonyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 67442530
[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 58474542
3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 141490421
tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]-N-methylcarbamate
CID 59457747
7-(4-amino-2-fluorophenoxy)-N-methoxythieno[3,2-b]pyridine-2-sulfonamide
CID 89360799
7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide
CID 58790202
7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine
CID 126590233
4-[3-[3-fluoro-4-[2-[1-methyl-5-(propylaminomethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxopropyl]benzamide
CID 58207794
2-methoxyethyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]-N-tert-butylcarbamate
CID 140541186
[2-[7-[2-fluoro-4-(propan-2-ylcarbamoylamino)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl-(2-methoxyethyl)carbamic acid
CID 67117545

Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate?
The IUPAC name of methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate (CID 59424445) is methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate is COC(=O)c1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)n1C.
What is the InChIKey of methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate?
The InChIKey is PMVKCAUDIPNDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S/c1-24-13(19(25)26-2)9-23-18(24)16-8-12-17(28-16)15(5-6-22-12)27-14-4-3-10(21)7-11(14)20/h3-9H,21H2,1-2H3.
What are the key properties of methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate?
methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate has a molecular weight of 398.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate is sourced from PubChem (CID 59424445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).