3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one

C23H23N5O2 — CID 92566845

About 3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one

3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 92566845) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
• PubChem CID: 92566845
• Molecular Formula: C23H23N5O2
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.19
• IUPAC Name: 3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
• SMILES: Cn1cc(CCC(=O)N2CC[C@@H](c3nnc(-c4cccnc4)o3)C2)c2ccccc21
• InChI: InChI=1S/C23H23N5O2/c1-27-14-17(19-6-2-3-7-20(19)27)8-9-21(29)28-12-10-18(15-28)23-26-25-22(30-23)16-5-4-11-24-13-16/h2-7,11,13-14,18H,8-10,12,15H2,1H3/t18-/m1/s1
• InChIKey: ZKBIIVJLZWLVSU-GOSISDBHSA-N
• XLogP: 3.57
• TPSA: 77.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 92566845) is 3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one is Cn1cc(CCC(=O)N2CC[C@@H](c3nnc(-c4cccnc4)o3)C2)c2ccccc21.

What is the InChIKey of 3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one?

The InChIKey is ZKBIIVJLZWLVSU-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-27-14-17(19-6-2-3-7-20(19)27)8-9-21(29)28-12-10-18(15-28)23-26-25-22(30-23)16-5-4-11-24-13-16/h2-7,11,13-14,18H,8-10,12,15H2,1H3/t18-/m1/s1.

What are the key properties of 3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one?

3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 401.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 92566845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).