[2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

C27H21FN4OS — CID 146638757

About [2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

[2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 146638757) has the molecular formula C27H21FN4OS and a molecular weight of 468.56 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: [2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
• PubChem CID: 146638757
• Molecular Formula: C27H21FN4OS
• Molecular Weight: 468.56 g/mol
• Exact Mass: 468.14
• IUPAC Name: [2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
• SMILES: C[C@@H]1c2ccsc2CCN1C(=O)c1cc(-c2cccnc2)c2nc(-c3ccccc3F)cn2c1
• InChI: InChI=1S/C27H21FN4OS/c1-17-20-9-12-34-25(20)8-11-32(17)27(33)19-13-22(18-5-4-10-29-14-18)26-30-24(16-31(26)15-19)21-6-2-3-7-23(21)28/h2-7,9-10,12-17H,8,11H2,1H3/t17-/m1/s1
• InChIKey: XVBMBBRCWBTTLQ-QGZVFWFLSA-N
• XLogP: 6.02
• TPSA: 50.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.56
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?

The IUPAC name of [2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 146638757) is [2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

What is the SMILES notation for [2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?

The canonical SMILES for [2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is C[C@@H]1c2ccsc2CCN1C(=O)c1cc(-c2cccnc2)c2nc(-c3ccccc3F)cn2c1.

What is the InChIKey of [2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?

The InChIKey is XVBMBBRCWBTTLQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H21FN4OS/c1-17-20-9-12-34-25(20)8-11-32(17)27(33)19-13-22(18-5-4-10-29-14-18)26-30-24(16-31(26)15-19)21-6-2-3-7-23(21)28/h2-7,9-10,12-17H,8,11H2,1H3/t17-/m1/s1.

What are the key properties of [2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?

[2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 468.56 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 146638757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).