N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide

C₂₄H₁₈N₈OS₂ — CID 58163805

About N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide

N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide (PubChem CID 58163805) has the molecular formula C₂₄H₁₈N₈OS₂ and a molecular weight of 498.60 g/mol. Its IUPAC name is N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide
• PubChem CID: 58163805
• Molecular Formula: C₂₄H₁₈N₈OS₂
• Molecular Weight: 498.60 g/mol
• Exact Mass: 498.10
• IUPAC Name: N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide
• SMILES: Nc1cn(-c2ccccc2)nc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)s1
• InChI: InChI=1S/C24H18N8OS2/c25-16-13-32(15-6-2-1-3-7-15)30-22(16)29-23(33)19-9-10-21(35-19)28-24-27-17(14-34-24)18-12-26-20-8-4-5-11-31(18)20/h1-14H,25H2,(H,27,28)(H,29,30,33)
• InChIKey: KPBCIVVSEWCVGF-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 115.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.60
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide?

The IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide (CID 58163805) is N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide.

What is the SMILES notation for N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide?

The canonical SMILES for N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide is Nc1cn(-c2ccccc2)nc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)s1.

What is the InChIKey of N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide?

The InChIKey is KPBCIVVSEWCVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N8OS2/c25-16-13-32(15-6-2-1-3-7-15)30-22(16)29-23(33)19-9-10-21(35-19)28-24-27-17(14-34-24)18-12-26-20-8-4-5-11-31(18)20/h1-14H,25H2,(H,27,28)(H,29,30,33).

What are the key properties of N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide?

N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide has a molecular weight of 498.60 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 58163805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58163805 — identifiers, structure, computed properties (public domain)

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