2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole

C28H26N8OS — CID 66855693

About 2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole

2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole (PubChem CID 66855693) has the molecular formula C28H26N8OS and a molecular weight of 522.64 g/mol. Its IUPAC name is 2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
• PubChem CID: 66855693
• Molecular Formula: C28H26N8OS
• Molecular Weight: 522.64 g/mol
• Exact Mass: 522.20
• IUPAC Name: 2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
• SMILES: Cc1nc2ccc(-c3cnn(C)c3)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1
• InChI: InChI=1S/C28H26N8OS/c1-18-25(35-16-20(11-12-22(35)31-18)21-14-30-34(2)15-21)28-32-24(19-8-4-3-5-9-19)26(38-28)27-29-17-36(33-27)23-10-6-7-13-37-23/h3-5,8-9,11-12,14-17,23H,6-7,10,13H2,1-2H3
• InChIKey: SHMKQIVHLLFPMF-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 87.95 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.64
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?

The IUPAC name of 2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole (CID 66855693) is 2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole.

What is the SMILES notation for 2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?

The canonical SMILES for 2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole is Cc1nc2ccc(-c3cnn(C)c3)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1.

What is the InChIKey of 2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?

The InChIKey is SHMKQIVHLLFPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8OS/c1-18-25(35-16-20(11-12-22(35)31-18)21-14-30-34(2)15-21)28-32-24(19-8-4-3-5-9-19)26(38-28)27-29-17-36(33-27)23-10-6-7-13-37-23/h3-5,8-9,11-12,14-17,23H,6-7,10,13H2,1-2H3.

What are the key properties of 2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?

2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole has a molecular weight of 522.64 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 66855693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).