3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate

C51H45F6N13O14S5 — CID 159705507

IUPAC3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate
SMILESCC(=O)[O-].COc1ccc(COc2ccnc3sc(C(N)=O)c(N)c23)cc1.NC(=O)c1sc2nccc(Nc3ccccc3)c2c1N.NC(=O)c1sc2nccc(OS(=O)(=O)C(F)(F)F)c2c1N.Nc1c(C([NH3+])=O)sc2[nH]ccc(=O)c12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H15N3O3S.C14H12N4OS.C9H6F3N3O4S2.C8H7N3O2S.C2HF3O2.C2H4O2/c1-21-10-4-2-9(3-5-10)8-22-11-6-7-19-16-12(11)13(17)14(23-16)15(18)20;15-11-10-9(18-8-4-2-1-3-5-8)6-7-17-14(10)20-12(11)13(16)19;10-9(11,12)21(17,18)19-3-1-2-15-8-4(3)5(13)6(20-8)7(14)16;9-5-4-3(12)1-2-11-8(4)14-6(5)7(10)13;3-2(4,5)1(6)7;1-2(3)4/h2-7H,8,17H2,1H3,(H2,18,20);1-7H,15H2,(H2,16,19)(H,17,18);1-2H,13H2,(H2,14,16);1-2H,9H2,(H2,10,13)(H,11,12);(H,6,7);1H3,(H,3,4)
InChIKeyNLHIFGMELBDDOV-UHFFFAOYSA-N
MW1338.32 g/mol
LogP5.44
Rot. Bonds12

About 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate

3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate (PubChem CID 159705507) has the molecular formula C51H45F6N13O14S5 and a molecular weight of 1338.32 g/mol. Its IUPAC name is 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate.

Molecular Properties

Compound Name3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate
PubChem CID159705507
Molecular FormulaC51H45F6N13O14S5
Molecular Weight1338.32 g/mol
Exact Mass1337.17
IUPAC Name3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate
SMILESCC(=O)[O-].COc1ccc(COc2ccnc3sc(C(N)=O)c(N)c23)cc1.NC(=O)c1sc2nccc(Nc3ccccc3)c2c1N.NC(=O)c1sc2nccc(OS(=O)(=O)C(F)(F)F)c2c1N.Nc1c(C([NH3+])=O)sc2[nH]ccc(=O)c12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H15N3O3S.C14H12N4OS.C9H6F3N3O4S2.C8H7N3O2S.C2HF3O2.C2H4O2/c1-21-10-4-2-9(3-5-10)8-22-11-6-7-19-16-12(11)13(17)14(23-16)15(18)20;15-11-10-9(18-8-4-2-1-3-5-8)6-7-17-14(10)20-12(11)13(16)19;10-9(11,12)21(17,18)19-3-1-2-15-8-4(3)5(13)6(20-8)7(14)16;9-5-4-3(12)1-2-11-8(4)14-6(5)7(10)13;3-2(4,5)1(6)7;1-2(3)4/h2-7H,8,17H2,1H3,(H2,18,20);1-7H,15H2,(H2,16,19)(H,17,18);1-2H,13H2,(H2,14,16);1-2H,9H2,(H2,10,13)(H,11,12);(H,6,7);1H3,(H,3,4)
InChIKeyNLHIFGMELBDDOV-UHFFFAOYSA-N
XLogP5.44
TPSA500.88 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001338.32
LogP ≤ 55.44
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate?
The IUPAC name of 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate (CID 159705507) is 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate.
What is the SMILES notation for 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate?
The canonical SMILES for 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate is CC(=O)[O-].COc1ccc(COc2ccnc3sc(C(N)=O)c(N)c23)cc1.NC(=O)c1sc2nccc(Nc3ccccc3)c2c1N.NC(=O)c1sc2nccc(OS(=O)(=O)C(F)(F)F)c2c1N.Nc1c(C([NH3+])=O)sc2[nH]ccc(=O)c12.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate?
The InChIKey is NLHIFGMELBDDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S.C14H12N4OS.C9H6F3N3O4S2.C8H7N3O2S.C2HF3O2.C2H4O2/c1-21-10-4-2-9(3-5-10)8-22-11-6-7-19-16-12(11)13(17)14(23-16)15(18)20;15-11-10-9(18-8-4-2-1-3-5-8)6-7-17-14(10)20-12(11)13(16)19;10-9(11,12)21(17,18)19-3-1-2-15-8-4(3)5(13)6(20-8)7(14)16;9-5-4-3(12)1-2-11-8(4)14-6(5)7(10)13;3-2(4,5)1(6)7;1-2(3)4/h2-7H,8,17H2,1H3,(H2,18,20);1-7H,15H2,(H2,16,19)(H,17,18);1-2H,13H2,(H2,14,16);1-2H,9H2,(H2,10,13)(H,11,12);(H,6,7);1H3,(H,3,4).
What are the key properties of 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate?
3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate has a molecular weight of 1338.32 g/mol, XLogP of 5.44, 12 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide;(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl) trifluoromethanesulfonate;3-amino-4-[(4-methoxyphenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide;(3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carbonyl)azanium;2,2,2-trifluoroacetic acid;acetate is sourced from PubChem (CID 159705507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).