3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one

C29H30FN5O2 — CID 118125502

IUPAC3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one
SMILESCn1cc(-c2ccc(-c3ccc(C4=NC(C)(C)C(=O)N4CC4CN(C(=O)C5CC5)C4)c(F)c3)cc2)cn1
InChIInChI=1S/C29H30FN5O2/c1-29(2)28(37)35(16-18-14-34(15-18)27(36)21-8-9-21)26(32-29)24-11-10-22(12-25(24)30)19-4-6-20(7-5-19)23-13-31-33(3)17-23/h4-7,10-13,17-18,21H,8-9,14-16H2,1-3H3
InChIKeyPUUIYIMOUIQTFI-UHFFFAOYSA-N
MW499.59 g/mol
LogP4.13
Rot. Bonds6

About 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one

3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one (PubChem CID 118125502) has the molecular formula C29H30FN5O2 and a molecular weight of 499.59 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one
PubChem CID118125502
Molecular FormulaC29H30FN5O2
Molecular Weight499.59 g/mol
Exact Mass499.24
IUPAC Name3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one
SMILESCn1cc(-c2ccc(-c3ccc(C4=NC(C)(C)C(=O)N4CC4CN(C(=O)C5CC5)C4)c(F)c3)cc2)cn1
InChIInChI=1S/C29H30FN5O2/c1-29(2)28(37)35(16-18-14-34(15-18)27(36)21-8-9-21)26(32-29)24-11-10-22(12-25(24)30)19-4-6-20(7-5-19)23-13-31-33(3)17-23/h4-7,10-13,17-18,21H,8-9,14-16H2,1-3H3
InChIKeyPUUIYIMOUIQTFI-UHFFFAOYSA-N
XLogP4.13
TPSA70.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-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-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one (CID 118125502) is 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one is Cn1cc(-c2ccc(-c3ccc(C4=NC(C)(C)C(=O)N4CC4CN(C(=O)C5CC5)C4)c(F)c3)cc2)cn1.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one?
The InChIKey is PUUIYIMOUIQTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O2/c1-29(2)28(37)35(16-18-14-34(15-18)27(36)21-8-9-21)26(32-29)24-11-10-22(12-25(24)30)19-4-6-20(7-5-19)23-13-31-33(3)17-23/h4-7,10-13,17-18,21H,8-9,14-16H2,1-3H3.
What are the key properties of 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one?
3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one has a molecular weight of 499.59 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-[2-fluoro-4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-5,5-dimethylimidazol-4-one is sourced from PubChem (CID 118125502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).