5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

C25H29N7O — CID 75614854

About 5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 75614854) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
• PubChem CID: 75614854
• Molecular Formula: C25H29N7O
• Molecular Weight: 443.56 g/mol
• Exact Mass: 443.24
• IUPAC Name: 5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
• SMILES: CN1CCN(c2ccc(-c3noc(C4CCCN4Cc4c[nH]c5ccccc45)n3)cn2)CC1
• InChI: InChI=1S/C25H29N7O/c1-30-11-13-31(14-12-30)23-9-8-18(15-27-23)24-28-25(33-29-24)22-7-4-10-32(22)17-19-16-26-21-6-3-2-5-20(19)21/h2-3,5-6,8-9,15-16,22,26H,4,7,10-14,17H2,1H3
• InChIKey: ODOFHPSSCSXOKD-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 77.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.56
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?

The IUPAC name of 5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (CID 75614854) is 5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is CN1CCN(c2ccc(-c3noc(C4CCCN4Cc4c[nH]c5ccccc45)n3)cn2)CC1.

What is the InChIKey of 5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?

The InChIKey is ODOFHPSSCSXOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-30-11-13-31(14-12-30)23-9-8-18(15-27-23)24-28-25(33-29-24)22-7-4-10-32(22)17-19-16-26-21-6-3-2-5-20(19)21/h2-3,5-6,8-9,15-16,22,26H,4,7,10-14,17H2,1H3.

What are the key properties of 5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?

5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 443.56 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75614854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).