[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

C22H20F3N5O3 — CID 46366277

IUPAC[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCCc1cc(C2CCCN2C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)no1
InChIInChI=1S/C22H20F3N5O3/c1-2-5-13-10-15(28-33-13)17-6-3-8-29(17)21(31)14-12-26-30-19(22(23,24)25)11-16(27-20(14)30)18-7-4-9-32-18/h4,7,9-12,17H,2-3,5-6,8H2,1H3
InChIKeyXLAWMRKMYHXLNU-UHFFFAOYSA-N
MW459.43 g/mol
LogP4.93
Rot. Bonds5

About [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 46366277) has the molecular formula C22H20F3N5O3 and a molecular weight of 459.43 g/mol. Its IUPAC name is [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID46366277
Molecular FormulaC22H20F3N5O3
Molecular Weight459.43 g/mol
Exact Mass459.15
IUPAC Name[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCCc1cc(C2CCCN2C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)no1
InChIInChI=1S/C22H20F3N5O3/c1-2-5-13-10-15(28-33-13)17-6-3-8-29(17)21(31)14-12-26-30-19(22(23,24)25)11-16(27-20(14)30)18-7-4-9-32-18/h4,7,9-12,17H,2-3,5-6,8H2,1H3
InChIKeyXLAWMRKMYHXLNU-UHFFFAOYSA-N
XLogP4.93
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone 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 [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 46366277) is [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is CCCc1cc(C2CCCN2C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)no1.
What is the InChIKey of [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XLAWMRKMYHXLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O3/c1-2-5-13-10-15(28-33-13)17-6-3-8-29(17)21(31)14-12-26-30-19(22(23,24)25)11-16(27-20(14)30)18-7-4-9-32-18/h4,7,9-12,17H,2-3,5-6,8H2,1H3.
What are the key properties of [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 459.43 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 46366277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).