3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H15F3N6O2 — CID 155884275

IUPAC3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C1C(c2nnc(-c3cccnc3)o2)=CNC2C(c3ccccc3)C(C(F)(F)F)NN12
InChIInChI=1S/C20H15F3N6O2/c21-20(22,23)15-14(11-5-2-1-3-6-11)16-25-10-13(19(30)29(16)28-15)18-27-26-17(31-18)12-7-4-8-24-9-12/h1-10,14-16,25,28H
InChIKeyYUFADWPCWZSQIH-UHFFFAOYSA-N
MW428.37 g/mol
LogP2.46
Rot. Bonds3

About 3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 155884275) has the molecular formula C20H15F3N6O2 and a molecular weight of 428.37 g/mol. Its IUPAC name is 3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID155884275
Molecular FormulaC20H15F3N6O2
Molecular Weight428.37 g/mol
Exact Mass428.12
IUPAC Name3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C1C(c2nnc(-c3cccnc3)o2)=CNC2C(c3ccccc3)C(C(F)(F)F)NN12
InChIInChI=1S/C20H15F3N6O2/c21-20(22,23)15-14(11-5-2-1-3-6-11)16-25-10-13(19(30)29(16)28-15)18-27-26-17(31-18)12-7-4-8-24-9-12/h1-10,14-16,25,28H
InChIKeyYUFADWPCWZSQIH-UHFFFAOYSA-N
XLogP2.46
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-[5-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea
CID 162722799
6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884276
US10118930, Example 183
CID 137529798
US10118930, Example 185
CID 137529800
US10953012, Example 255
CID 77955940
1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one
CID 38030464
2-[5-(Pyridin-4-YL)-1,3,4-oxadiazol-2-YL]-N-{[2-(trifluoromethyl)phenyl]methyl}acetamide
CID 53162334
5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557527
3-Methyl-3-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
CID 156388860
(3R)-3-methyl-3-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
CID 156388877
(3S)-3-ethyl-3-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
CID 156388887
(3R)-3-ethyl-3-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
CID 156388900

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 155884275) is 3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=C1C(c2nnc(-c3cccnc3)o2)=CNC2C(c3ccccc3)C(C(F)(F)F)NN12.
What is the InChIKey of 3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YUFADWPCWZSQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O2/c21-20(22,23)15-14(11-5-2-1-3-6-11)16-25-10-13(19(30)29(16)28-15)18-27-26-17(31-18)12-7-4-8-24-9-12/h1-10,14-16,25,28H.
What are the key properties of 3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 428.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155884275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).