5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

C30H37N7O3 — CID 46203400

About 5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (PubChem CID 46203400) has the molecular formula C30H37N7O3 and a molecular weight of 543.67 g/mol. Its IUPAC name is 5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
• PubChem CID: 46203400
• Molecular Formula: C30H37N7O3
• Molecular Weight: 543.67 g/mol
• Exact Mass: 543.30
• IUPAC Name: 5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
• SMILES: COC1(c2ccc(-c3noc(-c4cc(C)n(Cc5ccc(NCCN6CCCC6)nc5)n4)n3)cc2)CCOCC1
• InChI: InChI=1S/C30H37N7O3/c1-22-19-26(34-37(22)21-23-5-10-27(32-20-23)31-13-16-36-14-3-4-15-36)29-33-28(35-40-29)24-6-8-25(9-7-24)30(38-2)11-17-39-18-12-30/h5-10,19-20H,3-4,11-18,21H2,1-2H3,(H,31,32)
• InChIKey: MCXRHMFCQCXKMO-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 103.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.67
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?

The IUPAC name of 5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (CID 46203400) is 5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.

What is the SMILES notation for 5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?

The canonical SMILES for 5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is COC1(c2ccc(-c3noc(-c4cc(C)n(Cc5ccc(NCCN6CCCC6)nc5)n4)n3)cc2)CCOCC1.

What is the InChIKey of 5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?

The InChIKey is MCXRHMFCQCXKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O3/c1-22-19-26(34-37(22)21-23-5-10-27(32-20-23)31-13-16-36-14-3-4-15-36)29-33-28(35-40-29)24-6-8-25(9-7-24)30(38-2)11-17-39-18-12-30/h5-10,19-20H,3-4,11-18,21H2,1-2H3,(H,31,32).

What are the key properties of 5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?

5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine has a molecular weight of 543.67 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-[3-[4-(4-methoxyoxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 46203400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).