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]-5-fluoropyridin-2-one

C34H31FN6O4 — CID 118465593

IUPAC1-[[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]-5-fluoropyridin-2-one
SMILESCC(C)c1ccc(-c2ccc(Oc3cc(-c4nc([C@H]5CC(=O)N(C6CC6)C5)no4)ccc3Cn3cc(F)ccc3=O)cc2)nn1
InChIInChI=1S/C34H31FN6O4/c1-20(2)28-12-13-29(38-37-28)21-5-10-27(11-6-21)44-30-15-22(3-4-23(30)17-40-19-25(35)7-14-31(40)42)34-36-33(39-45-34)24-16-32(43)41(18-24)26-8-9-26/h3-7,10-15,19-20,24,26H,8-9,16-18H2,1-2H3/t24-/m0/s1
InChIKeyLKMAUMRHHIAUGZ-DEOSSOPVSA-N
MW606.66 g/mol
LogP5.94
Rot. Bonds9

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]-5-fluoropyridin-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]-5-fluoropyridin-2-one (PubChem CID 118465593) has the molecular formula C34H31FN6O4 and a molecular weight of 606.66 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]-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-[[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]-5-fluoropyridin-2-one
PubChem CID118465593
Molecular FormulaC34H31FN6O4
Molecular Weight606.66 g/mol
Exact Mass606.24
IUPAC Name1-[[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]-5-fluoropyridin-2-one
SMILESCC(C)c1ccc(-c2ccc(Oc3cc(-c4nc([C@H]5CC(=O)N(C6CC6)C5)no4)ccc3Cn3cc(F)ccc3=O)cc2)nn1
InChIInChI=1S/C34H31FN6O4/c1-20(2)28-12-13-29(38-37-28)21-5-10-27(11-6-21)44-30-15-22(3-4-23(30)17-40-19-25(35)7-14-31(40)42)34-36-33(39-45-34)24-16-32(43)41(18-24)26-8-9-26/h3-7,10-15,19-20,24,26H,8-9,16-18H2,1-2H3/t24-/m0/s1
InChIKeyLKMAUMRHHIAUGZ-DEOSSOPVSA-N
XLogP5.94
TPSA116.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.66
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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]-5-fluoropyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-5-fluoropyridin-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]-5-fluoropyridin-2-one (CID 118465593) 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]-5-fluoropyridin-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]-5-fluoropyridin-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]-5-fluoropyridin-2-one is CC(C)c1ccc(-c2ccc(Oc3cc(-c4nc([C@H]5CC(=O)N(C6CC6)C5)no4)ccc3Cn3cc(F)ccc3=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]-5-fluoropyridin-2-one?
The InChIKey is LKMAUMRHHIAUGZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C34H31FN6O4/c1-20(2)28-12-13-29(38-37-28)21-5-10-27(11-6-21)44-30-15-22(3-4-23(30)17-40-19-25(35)7-14-31(40)42)34-36-33(39-45-34)24-16-32(43)41(18-24)26-8-9-26/h3-7,10-15,19-20,24,26H,8-9,16-18H2,1-2H3/t24-/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]-5-fluoropyridin-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]-5-fluoropyridin-2-one has a molecular weight of 606.66 g/mol, XLogP of 5.94, 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]-5-fluoropyridin-2-one is sourced from PubChem (CID 118465593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).