1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one

C34H32N6O4 — CID 118465597

About 1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one

1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one (PubChem CID 118465597) has the molecular formula C34H32N6O4 and a molecular weight of 588.67 g/mol. Its IUPAC name is 1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one
• PubChem CID: 118465597
• Molecular Formula: C34H32N6O4
• Molecular Weight: 588.67 g/mol
• Exact Mass: 588.25
• IUPAC Name: 1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one
• SMILES: CC(C)c1ccc(-c2ccc(Oc3cc(-c4nc([C@H]5CC(=O)N(C6CC6)C5)no4)ccc3Cn3ccccc3=O)cc2)nn1
• InChI: InChI=1S/C34H32N6O4/c1-21(2)28-14-15-29(37-36-28)22-8-12-27(13-9-22)43-30-17-23(6-7-24(30)19-39-16-4-3-5-31(39)41)34-35-33(38-44-34)25-18-32(42)40(20-25)26-10-11-26/h3-9,12-17,21,25-26H,10-11,18-20H2,1-2H3/t25-/m0/s1
• InChIKey: ZMXYFIKKSYMJFV-VWLOTQADSA-N
• XLogP: 5.80
• TPSA: 116.24 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.67
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one?

The IUPAC name of 1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one (CID 118465597) is 1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one.

What is the SMILES notation for 1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one?

The canonical SMILES for 1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one is CC(C)c1ccc(-c2ccc(Oc3cc(-c4nc([C@H]5CC(=O)N(C6CC6)C5)no4)ccc3Cn3ccccc3=O)cc2)nn1.

What is the InChIKey of 1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one?

The InChIKey is ZMXYFIKKSYMJFV-VWLOTQADSA-N. The full InChI is InChI=1S/C34H32N6O4/c1-21(2)28-14-15-29(37-36-28)22-8-12-27(13-9-22)43-30-17-23(6-7-24(30)19-39-16-4-3-5-31(39)41)34-35-33(38-44-34)25-18-32(42)40(20-25)26-10-11-26/h3-9,12-17,21,25-26H,10-11,18-20H2,1-2H3/t25-/m0/s1.

What are the key properties of 1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one?

1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one has a molecular weight of 588.67 g/mol, XLogP of 5.80, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 118465597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).