5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole

C30H35N7O2 — CID 46216409

About 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole

5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 46216409) has the molecular formula C30H35N7O2 and a molecular weight of 525.66 g/mol. Its IUPAC name is 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole
• PubChem CID: 46216409
• Molecular Formula: C30H35N7O2
• Molecular Weight: 525.66 g/mol
• Exact Mass: 525.29
• IUPAC Name: 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole
• SMILES: Cc1cc(-c2nc(-c3ccc(C4CCOCC4)cc3)no2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1
• InChI: InChI=1S/C30H35N7O2/c1-21-18-27(30-32-29(34-39-30)25-4-2-23(3-5-25)24-9-16-38-17-10-24)33-37(21)20-22-8-11-31-28(19-22)36-14-12-35(13-15-36)26-6-7-26/h2-5,8,11,18-19,24,26H,6-7,9-10,12-17,20H2,1H3
• InChIKey: AZDGOAJLZGMJOS-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 85.34 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.66
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole (CID 46216409) is 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole is Cc1cc(-c2nc(-c3ccc(C4CCOCC4)cc3)no2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1.

What is the InChIKey of 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole?

The InChIKey is AZDGOAJLZGMJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O2/c1-21-18-27(30-32-29(34-39-30)25-4-2-23(3-5-25)24-9-16-38-17-10-24)33-37(21)20-22-8-11-31-28(19-22)36-14-12-35(13-15-36)26-6-7-26/h2-5,8,11,18-19,24,26H,6-7,9-10,12-17,20H2,1H3.

What are the key properties of 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole?

5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 525.66 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46216409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).