5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine

C26H33N9O — CID 166982851

About 5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine

5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 166982851) has the molecular formula C26H33N9O and a molecular weight of 487.61 g/mol. Its IUPAC name is 5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

• Compound Name: 5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 166982851
• Molecular Formula: C26H33N9O
• Molecular Weight: 487.61 g/mol
• Exact Mass: 487.28
• IUPAC Name: 5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C)c1CNc1cnn(C)c1
• InChI: InChI=1S/C26H33N9O/c1-17-9-19(10-18(2)23(17)13-28-20-11-30-34(4)15-20)24-14-29-25(27)26(32-24)36-22-12-31-35(16-22)21-5-7-33(3)8-6-21/h9-12,14-16,21,28H,5-8,13H2,1-4H3,(H2,27,29)
• InChIKey: ZCSBQXGKGBWZJF-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 111.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.61
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The IUPAC name of 5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine (CID 166982851) is 5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine.

What is the SMILES notation for 5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The canonical SMILES for 5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine is Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C)c1CNc1cnn(C)c1.

What is the InChIKey of 5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is ZCSBQXGKGBWZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N9O/c1-17-9-19(10-18(2)23(17)13-28-20-11-30-34(4)15-20)24-14-29-25(27)26(32-24)36-22-12-31-35(16-22)21-5-7-33(3)8-6-21/h9-12,14-16,21,28H,5-8,13H2,1-4H3,(H2,27,29).

What are the key properties of 5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?

5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 487.61 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3,5-dimethyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 166982851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).