cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone

C28H31N5O3 — CID 58968379

About cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone

cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone (PubChem CID 58968379) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone
• PubChem CID: 58968379
• Molecular Formula: C28H31N5O3
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.24
• IUPAC Name: cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone
• SMILES: COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12
• InChI: InChI=1S/C28H31N5O3/c1-35-24-5-2-4-22-23(26(34)19-6-7-19)18-33(25(22)24)15-3-14-32-16-10-21(11-17-32)28-30-27(31-36-28)20-8-12-29-13-9-20/h2,4-5,8-9,12-13,18-19,21H,3,6-7,10-11,14-17H2,1H3
• InChIKey: WSRHRSRJBGWZLG-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 86.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone?

The IUPAC name of cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone (CID 58968379) is cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone.

What is the SMILES notation for cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone?

The canonical SMILES for cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone is COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.

What is the InChIKey of cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone?

The InChIKey is WSRHRSRJBGWZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-35-24-5-2-4-22-23(26(34)19-6-7-19)18-33(25(22)24)15-3-14-32-16-10-21(11-17-32)28-30-27(31-36-28)20-8-12-29-13-9-20/h2,4-5,8-9,12-13,18-19,21H,3,6-7,10-11,14-17H2,1H3.

What are the key properties of cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone?

cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone has a molecular weight of 485.59 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone is sourced from PubChem (CID 58968379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).