1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C20H18N6O2 — CID 156601911

About 1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 156601911) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 156601911
• Molecular Formula: C20H18N6O2
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.15
• IUPAC Name: 1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
• SMILES: CC1CN(C(=O)c2n[nH]c3ccccc23)CC1c1nc(-c2cccnc2)no1
• InChI: InChI=1S/C20H18N6O2/c1-12-10-26(20(27)17-14-6-2-3-7-16(14)23-24-17)11-15(12)19-22-18(25-28-19)13-5-4-8-21-9-13/h2-9,12,15H,10-11H2,1H3,(H,23,24)
• InChIKey: MJQWDLQNYIZPCP-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 100.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of 1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 156601911) is 1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for 1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for 1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is CC1CN(C(=O)c2n[nH]c3ccccc23)CC1c1nc(-c2cccnc2)no1.

What is the InChIKey of 1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?

The InChIKey is MJQWDLQNYIZPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-12-10-26(20(27)17-14-6-2-3-7-16(14)23-24-17)11-15(12)19-22-18(25-28-19)13-5-4-8-21-9-13/h2-9,12,15H,10-11H2,1H3,(H,23,24).

What are the key properties of 1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?

1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 374.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 156601911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).