8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C₂₆H₂₇F₂N₅O₃S — CID 70296137

About 8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 70296137) has the molecular formula C₂₆H₂₇F₂N₅O₃S and a molecular weight of 527.60 g/mol. Its IUPAC name is 8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

• Compound Name: 8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
• PubChem CID: 70296137
• Molecular Formula: C₂₆H₂₇F₂N₅O₃S
• Molecular Weight: 527.60 g/mol
• Exact Mass: 527.18
• IUPAC Name: 8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
• SMILES: CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(C(F)F)nc3)cccn12
• InChI: InChI=1S/C26H27F2N5O3S/c1-15(2)10-18(13-34)31-26(36)22-21(17-7-9-37-14-17)32-24-19(4-3-8-33(22)24)25(35)30-12-16-5-6-20(23(27)28)29-11-16/h3-9,11,14-15,18,23,34H,10,12-13H2,1-2H3,(H,30,35)(H,31,36)/t18-/m0/s1
• InChIKey: DKEZGHQXGOCMHM-SFHVURJKSA-N
• XLogP: 4.46
• TPSA: 108.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.60
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?

The IUPAC name of 8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 70296137) is 8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

What is the SMILES notation for 8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?

The canonical SMILES for 8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(C(F)F)nc3)cccn12.

What is the InChIKey of 8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?

The InChIKey is DKEZGHQXGOCMHM-SFHVURJKSA-N. The full InChI is InChI=1S/C26H27F2N5O3S/c1-15(2)10-18(13-34)31-26(36)22-21(17-7-9-37-14-17)32-24-19(4-3-8-33(22)24)25(35)30-12-16-5-6-20(23(27)28)29-11-16/h3-9,11,14-15,18,23,34H,10,12-13H2,1-2H3,(H,30,35)(H,31,36)/t18-/m0/s1.

What are the key properties of 8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?

8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 527.60 g/mol, XLogP of 4.46, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 70296137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 70296137 — identifiers, structure, computed properties (public domain)

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