2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole

C28H25N9S — CID 25189224

About 2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole

2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole (PubChem CID 25189224) has the molecular formula C28H25N9S and a molecular weight of 519.64 g/mol. Its IUPAC name is 2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole
• PubChem CID: 25189224
• Molecular Formula: C28H25N9S
• Molecular Weight: 519.64 g/mol
• Exact Mass: 519.20
• IUPAC Name: 2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole
• SMILES: c1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6ncccn6c5-c5nccs5)cc4)CC3)n2)nc1
• InChI: InChI=1S/C28H25N9S/c1-2-11-29-22(4-1)26-33-25(34-35-26)21-9-15-36(16-10-21)18-19-5-7-20(8-6-19)23-24(27-30-13-17-38-27)37-14-3-12-31-28(37)32-23/h1-8,11-14,17,21H,9-10,15-16,18H2,(H,33,34,35)
• InChIKey: UUICCHMCJVMCLO-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 100.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.64
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole?

The IUPAC name of 2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole (CID 25189224) is 2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole.

What is the SMILES notation for 2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole?

The canonical SMILES for 2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole is c1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6ncccn6c5-c5nccs5)cc4)CC3)n2)nc1.

What is the InChIKey of 2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole?

The InChIKey is UUICCHMCJVMCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N9S/c1-2-11-29-22(4-1)26-33-25(34-35-26)21-9-15-36(16-10-21)18-19-5-7-20(8-6-19)23-24(27-30-13-17-38-27)37-14-3-12-31-28(37)32-23/h1-8,11-14,17,21H,9-10,15-16,18H2,(H,33,34,35).

What are the key properties of 2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole?

2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole has a molecular weight of 519.64 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 25189224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).