[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone

C19H19FN4O2S — CID 58474542

IUPAC[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3nccc(Oc4ccc(N)cc4F)c3s2)CC1
InChIInChI=1S/C19H19FN4O2S/c1-23-6-8-24(9-7-23)19(25)17-11-14-18(27-17)16(4-5-22-14)26-15-3-2-12(21)10-13(15)20/h2-5,10-11H,6-9,21H2,1H3
InChIKeyDFOBISJSBOBWIJ-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.20
Rot. Bonds3

About [7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone

[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 58474542) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is [7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID58474542
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3nccc(Oc4ccc(N)cc4F)c3s2)CC1
InChIInChI=1S/C19H19FN4O2S/c1-23-6-8-24(9-7-23)19(25)17-11-14-18(27-17)16(4-5-22-14)26-15-3-2-12(21)10-13(15)20/h2-5,10-11H,6-9,21H2,1H3
InChIKeyDFOBISJSBOBWIJ-UHFFFAOYSA-N
XLogP3.20
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-[3-fluoro-4-[2-(4-methylpiperazine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474446
7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide
CID 58790202
[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 59424552
3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
CID 67471953
1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one
CID 58474495
azetidin-1-yl-(7-phenoxythieno[3,2-b]pyridin-2-yl)methanone
CID 91328834
1-cyclopropyl-3-[3-fluoro-4-[[2-(4-methylpiperazine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]methoxy]phenyl]urea
CID 123465268
methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate
CID 59424445
[1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]azetidin-3-yl] acetate
CID 58474710
3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 59424431
7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid
CID 59424536
7-(4-amino-2-fluorophenoxy)-N-methoxythieno[3,2-b]pyridine-2-sulfonamide
CID 89360799

Frequently Asked Questions

What is the IUPAC name of [7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 58474542) is [7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3nccc(Oc4ccc(N)cc4F)c3s2)CC1.
What is the InChIKey of [7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DFOBISJSBOBWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-23-6-8-24(9-7-23)19(25)17-11-14-18(27-17)16(4-5-22-14)26-15-3-2-12(21)10-13(15)20/h2-5,10-11H,6-9,21H2,1H3.
What are the key properties of [7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 386.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 58474542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).