3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)

C23H20ClF9N4O7S — CID 53382517

About 3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)

3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid) (PubChem CID 53382517) has the molecular formula C23H20ClF9N4O7S and a molecular weight of 702.94 g/mol. Its IUPAC name is 3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 53382517
• Molecular Formula: C23H20ClF9N4O7S
• Molecular Weight: 702.94 g/mol
• Exact Mass: 702.06
• IUPAC Name: 3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
• SMILES: Cc1cc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)ccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H17ClN4OS.3C2HF3O2/c1-8-6-11(4-5-20-8)7-21-16(23)15-14(19)12-9(2)13(18)10(3)22-17(12)24-15;3*3-2(4,5)1(6)7/h4-6H,7,19H2,1-3H3,(H,21,23);3*(H,6,7)
• InChIKey: LOPJLEWFJNNPJW-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 192.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.94
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)?

The IUPAC name of 3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid) (CID 53382517) is 3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid) is Cc1cc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)ccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)?

The InChIKey is LOPJLEWFJNNPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS.3C2HF3O2/c1-8-6-11(4-5-20-8)7-21-16(23)15-14(19)12-9(2)13(18)10(3)22-17(12)24-15;3*3-2(4,5)1(6)7/h4-6H,7,19H2,1-3H3,(H,21,23);3*(H,6,7).

What are the key properties of 3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)?

3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 702.94 g/mol, XLogP of 5.68, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 53382517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).