1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

C93H63F15N18O3S5 — CID 167692691

About 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (PubChem CID 167692691) has the molecular formula C93H63F15N18O3S5 and a molecular weight of 1925.95 g/mol. Its IUPAC name is 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
• PubChem CID: 167692691
• Molecular Formula: C93H63F15N18O3S5
• Molecular Weight: 1925.95 g/mol
• Exact Mass: 1924.37
• IUPAC Name: 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
• SMILES: CC(=O)c1sc2nc(-c3ccc(C)cc3F)ccc2c1N.CC(=O)c1sc2nc(-c3cccnc3)cc(C(F)F)c2c1N.[C-]#[N+]c1cc2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc2s1.[C-]#[N+]c1oc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)c2c1N.[C-]#[N+]c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.[H]/N=C(\N)c1sc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)c2c1N
• InChI: InChI=1S/C16H13F3N4S.C16H10F3N3O.C16H9F3N2S.C16H13FN2OS.C15H11F2N3OS.C14H7F3N4S/c1-7-2-4-8(5-3-7)10-6-9(16(17,18)19)11-12(20)13(14(21)22)24-15(11)23-10;1-8-3-5-9(6-4-8)11-7-10(16(17,18)19)12-13(20)15(21-2)23-14(12)22-11;1-9-3-5-10(6-4-9)13-8-12(16(17,18)19)11-7-14(20-2)22-15(11)21-13;1-8-3-4-10(12(17)7-8)13-6-5-11-14(18)15(9(2)20)21-16(11)19-13;1-7(21)13-12(18)11-9(14(16)17)5-10(20-15(11)22-13)8-3-2-4-19-6-8;1-19-13-11(18)10-8(14(15,16)17)5-9(21-12(10)22-13)7-3-2-4-20-6-7/h2-6H,20H2,1H3,(H3,21,22);3-7H,20H2,1H3;3-8H,1H3;3-7H,18H2,1-2H3;2-6,14H,18H2,1H3;2-6H,18H2
• InChIKey: XEMXXTVUIFPRHT-UHFFFAOYSA-N
• XLogP: 27.74
• TPSA: 343.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1925.95
LogP ≤ 5	27.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?

The IUPAC name of 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (CID 167692691) is 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is CC(=O)c1sc2nc(-c3ccc(C)cc3F)ccc2c1N.CC(=O)c1sc2nc(-c3cccnc3)cc(C(F)F)c2c1N.[C-]#[N+]c1cc2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc2s1.[C-]#[N+]c1oc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)c2c1N.[C-]#[N+]c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.[H]/N=C(\N)c1sc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)c2c1N.

What is the InChIKey of 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?

The InChIKey is XEMXXTVUIFPRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4S.C16H10F3N3O.C16H9F3N2S.C16H13FN2OS.C15H11F2N3OS.C14H7F3N4S/c1-7-2-4-8(5-3-7)10-6-9(16(17,18)19)11-12(20)13(14(21)22)24-15(11)23-10;1-8-3-5-9(6-4-8)11-7-10(16(17,18)19)12-13(20)15(21-2)23-14(12)22-11;1-9-3-5-10(6-4-9)13-8-12(16(17,18)19)11-7-14(20-2)22-15(11)21-13;1-8-3-4-10(12(17)7-8)13-6-5-11-14(18)15(9(2)20)21-16(11)19-13;1-7(21)13-12(18)11-9(14(16)17)5-10(20-15(11)22-13)8-3-2-4-19-6-8;1-19-13-11(18)10-8(14(15,16)17)5-9(21-12(10)22-13)7-3-2-4-20-6-7/h2-6H,20H2,1H3,(H3,21,22);3-7H,20H2,1H3;3-8H,1H3;3-7H,18H2,1-2H3;2-6,14H,18H2,1H3;2-6H,18H2.

What are the key properties of 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?

1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 1925.95 g/mol, XLogP of 27.74, 10 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 167692691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).