3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine

C22H24N6O2 — CID 68654914

About 3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine

3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine (PubChem CID 68654914) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine
• PubChem CID: 68654914
• Molecular Formula: C22H24N6O2
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.20
• IUPAC Name: 3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine
• SMILES: COc1ccc2oc(-c3cc(-c4cn[nH]c4C4CCN(C)CC4)cnc3N)nc2c1
• InChI: InChI=1S/C22H24N6O2/c1-28-7-5-13(6-8-28)20-17(12-25-27-20)14-9-16(21(23)24-11-14)22-26-18-10-15(29-2)3-4-19(18)30-22/h3-4,9-13H,5-8H2,1-2H3,(H2,23,24)(H,25,27)
• InChIKey: GZYKBRGVLWTDFL-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 106.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine?

The IUPAC name of 3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine (CID 68654914) is 3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine.

What is the SMILES notation for 3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine?

The canonical SMILES for 3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine is COc1ccc2oc(-c3cc(-c4cn[nH]c4C4CCN(C)CC4)cnc3N)nc2c1.

What is the InChIKey of 3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine?

The InChIKey is GZYKBRGVLWTDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-28-7-5-13(6-8-28)20-17(12-25-27-20)14-9-16(21(23)24-11-14)22-26-18-10-15(29-2)3-4-19(18)30-22/h3-4,9-13H,5-8H2,1-2H3,(H2,23,24)(H,25,27).

What are the key properties of 3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine?

3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine has a molecular weight of 404.47 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 68654914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).