8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C₂₈H₃₁FN₄O₃S — CID 143716824

About 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 143716824) has the molecular formula C₂₈H₃₁FN₄O₃S and a molecular weight of 522.65 g/mol. Its IUPAC name is 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

• Compound Name: 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
• PubChem CID: 143716824
• Molecular Formula: C₂₈H₃₁FN₄O₃S
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.21
• IUPAC Name: 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
• SMILES: CC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NC(C)c3ccc(C(C)(C)F)cc3)cccn12
• InChI: InChI=1S/C28H31FN4O3S/c1-5-21(15-34)31-27(36)24-23(19-12-14-37-16-19)32-25-22(7-6-13-33(24)25)26(35)30-17(2)18-8-10-20(11-9-18)28(3,4)29/h6-14,16-17,21,34H,5,15H2,1-4H3,(H,30,35)(H,31,36)/t17?,21-/m0/s1
• InChIKey: GWIVDGCDIWNMQM-LFABVHOISA-N
• XLogP: 5.26
• TPSA: 95.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?

The IUPAC name of 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 143716824) is 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

What is the SMILES notation for 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?

The canonical SMILES for 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is CC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NC(C)c3ccc(C(C)(C)F)cc3)cccn12.

What is the InChIKey of 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?

The InChIKey is GWIVDGCDIWNMQM-LFABVHOISA-N. The full InChI is InChI=1S/C28H31FN4O3S/c1-5-21(15-34)31-27(36)24-23(19-12-14-37-16-19)32-25-22(7-6-13-33(24)25)26(35)30-17(2)18-8-10-20(11-9-18)28(3,4)29/h6-14,16-17,21,34H,5,15H2,1-4H3,(H,30,35)(H,31,36)/t17?,21-/m0/s1.

What are the key properties of 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?

8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 522.65 g/mol, XLogP of 5.26, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 143716824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143716824 — identifiers, structure, computed properties (public domain)

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