4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine

C26H32N8OS — CID 162646677

About 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine

4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 162646677) has the molecular formula C26H32N8OS and a molecular weight of 504.66 g/mol. Its IUPAC name is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
• PubChem CID: 162646677
• Molecular Formula: C26H32N8OS
• Molecular Weight: 504.66 g/mol
• Exact Mass: 504.24
• IUPAC Name: 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
• SMILES: COc1nc(-c2csc(Nc3c4c(nn3C3CCN(C)CC3)CCCC4)n2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C26H32N8OS/c1-17-14-33(16-27-17)23-9-8-21(28-25(23)35-3)22-15-36-26(29-22)30-24-19-6-4-5-7-20(19)31-34(24)18-10-12-32(2)13-11-18/h8-9,14-16,18H,4-7,10-13H2,1-3H3,(H,29,30)
• InChIKey: GOLDILDLNVCUNN-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 85.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.66
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine?

The IUPAC name of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine (CID 162646677) is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine?

The canonical SMILES for 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine is COc1nc(-c2csc(Nc3c4c(nn3C3CCN(C)CC3)CCCC4)n2)ccc1-n1cnc(C)c1.

What is the InChIKey of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine?

The InChIKey is GOLDILDLNVCUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8OS/c1-17-14-33(16-27-17)23-9-8-21(28-25(23)35-3)22-15-36-26(29-22)30-24-19-6-4-5-7-20(19)31-34(24)18-10-12-32(2)13-11-18/h8-9,14-16,18H,4-7,10-13H2,1-3H3,(H,29,30).

What are the key properties of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine?

4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 504.66 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 162646677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).