N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine

C22H19FN4O3S — CID 88576713

IUPACN-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(-c2cc3nccc(Oc4ccc(N=O)cc4F)c3s2)nc1
InChIInChI=1S/C22H19FN4O3S/c1-29-9-8-24-12-14-2-4-17(26-13-14)21-11-18-22(31-21)20(6-7-25-18)30-19-5-3-15(27-28)10-16(19)23/h2-7,10-11,13,24H,8-9,12H2,1H3
InChIKeyBASKYSYVRSAUNZ-UHFFFAOYSA-N
MW438.48 g/mol
LogP5.42
Rot. Bonds9

About N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine

N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 88576713) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID88576713
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC NameN-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(-c2cc3nccc(Oc4ccc(N=O)cc4F)c3s2)nc1
InChIInChI=1S/C22H19FN4O3S/c1-29-9-8-24-12-14-2-4-17(26-13-14)21-11-18-22(31-21)20(6-7-25-18)30-19-5-3-15(27-28)10-16(19)23/h2-7,10-11,13,24H,8-9,12H2,1H3
InChIKeyBASKYSYVRSAUNZ-UHFFFAOYSA-N
XLogP5.42
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine 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

6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde
CID 89033105
methyl 3-[3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxopropyl]benzoate
CID 58207679
1-N'-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 126612694
1-cyclopropylsulfonyl-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 67048272
1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[(3S)-oxolan-3-yl]propan-2-one
CID 58207782
2-(2-ethylphenyl)-N-[[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]acetamide
CID 89202360
1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-phenylimidazolidin-2-one
CID 158131673
1-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 58236584
1-(3-dimethylphosphorylphenyl)-3-[3-fluoro-4-[2-[5-[[2-(2-methoxyethoxy)ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 58236611
2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-1-yl]ethanone
CID 146800270
N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 139511736
N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-oxo-2-phenylpyridazine-4-carboxamide;hydrochloride
CID 139513300

Frequently Asked Questions

What is the IUPAC name of N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine (CID 88576713) is N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(-c2cc3nccc(Oc4ccc(N=O)cc4F)c3s2)nc1.
What is the InChIKey of N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is BASKYSYVRSAUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-29-9-8-24-12-14-2-4-17(26-13-14)21-11-18-22(31-21)20(6-7-25-18)30-19-5-3-15(27-28)10-16(19)23/h2-7,10-11,13,24H,8-9,12H2,1H3.
What are the key properties of N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine?
N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 438.48 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 88576713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).