3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one

C33H30FN7O4 — CID 118465769

IUPAC3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one
SMILESCC(C)(F)c1ccc(-c2ccc(Oc3cc(-c4nc([C@H]5CC(=O)N(C6CC6)C5)no4)ccc3Cn3cnccc3=O)cc2)nn1
InChIInChI=1S/C33H30FN7O4/c1-33(2,34)28-12-11-26(37-38-28)20-5-9-25(10-6-20)44-27-15-21(3-4-22(27)17-40-19-35-14-13-29(40)42)32-36-31(39-45-32)23-16-30(43)41(18-23)24-7-8-24/h3-6,9-15,19,23-24H,7-8,16-18H2,1-2H3/t23-/m0/s1
InChIKeyIIFKKYVZQOWABI-QHCPKHFHSA-N
MW607.65 g/mol
LogP5.27
Rot. Bonds9

About 3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one

3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one (PubChem CID 118465769) has the molecular formula C33H30FN7O4 and a molecular weight of 607.65 g/mol. Its IUPAC name is 3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one
PubChem CID118465769
Molecular FormulaC33H30FN7O4
Molecular Weight607.65 g/mol
Exact Mass607.23
IUPAC Name3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one
SMILESCC(C)(F)c1ccc(-c2ccc(Oc3cc(-c4nc([C@H]5CC(=O)N(C6CC6)C5)no4)ccc3Cn3cnccc3=O)cc2)nn1
InChIInChI=1S/C33H30FN7O4/c1-33(2,34)28-12-11-26(37-38-28)20-5-9-25(10-6-20)44-27-15-21(3-4-22(27)17-40-19-35-14-13-29(40)42)32-36-31(39-45-32)23-16-30(43)41(18-23)24-7-8-24/h3-6,9-15,19,23-24H,7-8,16-18H2,1-2H3/t23-/m0/s1
InChIKeyIIFKKYVZQOWABI-QHCPKHFHSA-N
XLogP5.27
TPSA129.13 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.65
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-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 3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one (CID 118465769) is 3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one is CC(C)(F)c1ccc(-c2ccc(Oc3cc(-c4nc([C@H]5CC(=O)N(C6CC6)C5)no4)ccc3Cn3cnccc3=O)cc2)nn1.
What is the InChIKey of 3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one?
The InChIKey is IIFKKYVZQOWABI-QHCPKHFHSA-N. The full InChI is InChI=1S/C33H30FN7O4/c1-33(2,34)28-12-11-26(37-38-28)20-5-9-25(10-6-20)44-27-15-21(3-4-22(27)17-40-19-35-14-13-29(40)42)32-36-31(39-45-32)23-16-30(43)41(18-23)24-7-8-24/h3-6,9-15,19,23-24H,7-8,16-18H2,1-2H3/t23-/m0/s1.
What are the key properties of 3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one?
3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one has a molecular weight of 607.65 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]-2-[4-[6-(2-fluoropropan-2-yl)pyridazin-3-yl]phenoxy]phenyl]methyl]pyrimidin-4-one is sourced from PubChem (CID 118465769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).