2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one

C24H25N7O3 — CID 170977784

About 2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one

2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one (PubChem CID 170977784) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one.

Molecular Properties

• Compound Name: 2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one
• PubChem CID: 170977784
• Molecular Formula: C24H25N7O3
• Molecular Weight: 459.51 g/mol
• Exact Mass: 459.20
• IUPAC Name: 2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one
• SMILES: CCCn1[nH]c(C(=O)N2CCCC2Cc2nc(-c3ccccn3)no2)c(-c2ccccn2)c1=O
• InChI: InChI=1S/C24H25N7O3/c1-2-13-31-23(32)20(17-9-3-5-11-25-17)21(28-31)24(33)30-14-7-8-16(30)15-19-27-22(29-34-19)18-10-4-6-12-26-18/h3-6,9-12,16,28H,2,7-8,13-15H2,1H3
• InChIKey: AMGLQLWSPABRQN-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 122.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.51
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one?

The IUPAC name of 2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one (CID 170977784) is 2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one.

What is the SMILES notation for 2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one?

The canonical SMILES for 2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one is CCCn1[nH]c(C(=O)N2CCCC2Cc2nc(-c3ccccn3)no2)c(-c2ccccn2)c1=O.

What is the InChIKey of 2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one?

The InChIKey is AMGLQLWSPABRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-2-13-31-23(32)20(17-9-3-5-11-25-17)21(28-31)24(33)30-14-7-8-16(30)15-19-27-22(29-34-19)18-10-4-6-12-26-18/h3-6,9-12,16,28H,2,7-8,13-15H2,1H3.

What are the key properties of 2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one?

2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one has a molecular weight of 459.51 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one is sourced from PubChem (CID 170977784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).