[3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide

C24H19F3N4O4S — CID 44663267

About [3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide

[3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide (PubChem CID 44663267) has the molecular formula C24H19F3N4O4S and a molecular weight of 516.50 g/mol. Its IUPAC name is [3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide.

Molecular Properties

• Compound Name: [3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide
• PubChem CID: 44663267
• Molecular Formula: C24H19F3N4O4S
• Molecular Weight: 516.50 g/mol
• Exact Mass: 516.11
• IUPAC Name: [3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide
• SMILES: CN(C)C=O.Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc(-c3ccncc3)cc(C(F)(F)F)c12
• InChI: InChI=1S/C21H12F3N3O3S.C3H7NO/c22-21(23,24)12-8-13(10-3-5-26-6-4-10)27-20-16(12)17(25)19(31-20)18(28)11-1-2-14-15(7-11)30-9-29-14;1-4(2)3-5/h1-8H,9,25H2;3H,1-2H3
• InChIKey: LEYGBJUIJDZWCD-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 107.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.50
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide?

The IUPAC name of [3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide (CID 44663267) is [3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide.

What is the SMILES notation for [3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide?

The canonical SMILES for [3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide is CN(C)C=O.Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc(-c3ccncc3)cc(C(F)(F)F)c12.

What is the InChIKey of [3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide?

The InChIKey is LEYGBJUIJDZWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N3O3S.C3H7NO/c22-21(23,24)12-8-13(10-3-5-26-6-4-10)27-20-16(12)17(25)19(31-20)18(28)11-1-2-14-15(7-11)30-9-29-14;1-4(2)3-5/h1-8H,9,25H2;3H,1-2H3.

What are the key properties of [3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide?

[3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide has a molecular weight of 516.50 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(1,3-benzodioxol-5-yl)methanone;N,N-dimethylformamide is sourced from PubChem (CID 44663267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).