(2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid

C₄₂H₃₄F₂N₆O₃S₂ — CID 158278012

About (2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid

(2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 158278012) has the molecular formula C₄₂H₃₄F₂N₆O₃S₂ and a molecular weight of 772.90 g/mol. Its IUPAC name is (2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: (2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid
• PubChem CID: 158278012
• Molecular Formula: C₄₂H₃₄F₂N₆O₃S₂
• Molecular Weight: 772.90 g/mol
• Exact Mass: 772.21
• IUPAC Name: (2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid
• SMILES: Fc1cc2c(s1)CCNC2c1ccccc1.O=C(O)c1ccc2nccn2c1.O=C(c1ccc2nccn2c1)N1CCc2sc(F)cc2C1c1ccccc1
• InChI: InChI=1S/C21H16FN3OS.C13H12FNS.C8H6N2O2/c22-18-12-16-17(27-18)8-10-25(20(16)14-4-2-1-3-5-14)21(26)15-6-7-19-23-9-11-24(19)13-15;14-12-8-10-11(16-12)6-7-15-13(10)9-4-2-1-3-5-9;11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-7,9,11-13,20H,8,10H2;1-5,8,13,15H,6-7H2;1-5H,(H,11,12)
• InChIKey: GJVWHOCTJJMPHG-UHFFFAOYSA-N
• XLogP: 8.48
• TPSA: 104.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.90
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid?

The IUPAC name of (2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid (CID 158278012) is (2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid.

What is the SMILES notation for (2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid?

The canonical SMILES for (2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid is Fc1cc2c(s1)CCNC2c1ccccc1.O=C(O)c1ccc2nccn2c1.O=C(c1ccc2nccn2c1)N1CCc2sc(F)cc2C1c1ccccc1.

What is the InChIKey of (2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid?

The InChIKey is GJVWHOCTJJMPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS.C13H12FNS.C8H6N2O2/c22-18-12-16-17(27-18)8-10-25(20(16)14-4-2-1-3-5-14)21(26)15-6-7-19-23-9-11-24(19)13-15;14-12-8-10-11(16-12)6-7-15-13(10)9-4-2-1-3-5-9;11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-7,9,11-13,20H,8,10H2;1-5,8,13,15H,6-7H2;1-5H,(H,11,12).

What are the key properties of (2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid?

(2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 772.90 g/mol, XLogP of 8.48, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 158278012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158278012 — identifiers, structure, computed properties (public domain)

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