N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide

C28H29N5O4S2 — CID 59588692

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 59588692) has the molecular formula C28H29N5O4S2 and a molecular weight of 563.71 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 59588692
• Molecular Formula: C28H29N5O4S2
• Molecular Weight: 563.71 g/mol
• Exact Mass: 563.17
• IUPAC Name: N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(-c3ncc(-c4ccc(S(C)(=O)=O)cc4)[nH]3)cccn12
• InChI: InChI=1S/C28H29N5O4S2/c1-17(2)13-20(15-34)30-28(35)25-24(19-10-12-38-16-19)32-27-22(5-4-11-33(25)27)26-29-14-23(31-26)18-6-8-21(9-7-18)39(3,36)37/h4-12,14,16-17,20,34H,13,15H2,1-3H3,(H,29,31)(H,30,35)/t20-/m0/s1
• InChIKey: GOCNJNDVPSOVOZ-FQEVSTJZSA-N
• XLogP: 4.66
• TPSA: 129.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.71
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 59588692) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide is CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(-c3ncc(-c4ccc(S(C)(=O)=O)cc4)[nH]3)cccn12.

What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is GOCNJNDVPSOVOZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H29N5O4S2/c1-17(2)13-20(15-34)30-28(35)25-24(19-10-12-38-16-19)32-27-22(5-4-11-33(25)27)26-29-14-23(31-26)18-6-8-21(9-7-18)39(3,36)37/h4-12,14,16-17,20,34H,13,15H2,1-3H3,(H,29,31)(H,30,35)/t20-/m0/s1.

What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 563.71 g/mol, XLogP of 4.66, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 59588692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).