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

C25H20N8OS2 — CID 58163698

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

N-(4-amino-1-phenylpyrazol-3-yl)-5-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide (PubChem CID 58163698) has the molecular formula C25H20N8OS2 and a molecular weight of 512.62 g/mol. Its IUPAC name is N-(4-amino-1-phenylpyrazol-3-yl)-5-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-1-phenylpyrazol-3-yl)-5-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide
• PubChem CID: 58163698
• Molecular Formula: C25H20N8OS2
• Molecular Weight: 512.62 g/mol
• Exact Mass: 512.12
• IUPAC Name: N-(4-amino-1-phenylpyrazol-3-yl)-5-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide
• SMILES: Cc1nc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)s2)sc1-c1cnc2ccccn12
• InChI: InChI=1S/C25H20N8OS2/c1-15-22(18-13-27-20-9-5-6-12-32(18)20)36-25(28-15)29-21-11-10-19(35-21)24(34)30-23-17(26)14-33(31-23)16-7-3-2-4-8-16/h2-14H,26H2,1H3,(H,28,29)(H,30,31,34)
• InChIKey: JECMFRLDSXGJAJ-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 115.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.62
LogP ≤ 5	5.59
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-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide?

The IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-5-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide (CID 58163698) is N-(4-amino-1-phenylpyrazol-3-yl)-5-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide.

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

The canonical SMILES for N-(4-amino-1-phenylpyrazol-3-yl)-5-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide is Cc1nc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)s2)sc1-c1cnc2ccccn12.

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

The InChIKey is JECMFRLDSXGJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8OS2/c1-15-22(18-13-27-20-9-5-6-12-32(18)20)36-25(28-15)29-21-11-10-19(35-21)24(34)30-23-17(26)14-33(31-23)16-7-3-2-4-8-16/h2-14H,26H2,1H3,(H,28,29)(H,30,31,34).

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

N-(4-amino-1-phenylpyrazol-3-yl)-5-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide has a molecular weight of 512.62 g/mol, XLogP of 5.59, 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-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 58163698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).