2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole

C17H15F4N7O — CID 19550576

IUPAC2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1cc(C)n(CCc2nnc(-c3cc4nc(C(F)F)cc(C(F)F)n4n3)o2)n1
InChIInChI=1S/C17H15F4N7O/c1-8-5-9(2)27(25-8)4-3-14-23-24-17(29-14)11-7-13-22-10(15(18)19)6-12(16(20)21)28(13)26-11/h5-7,15-16H,3-4H2,1-2H3
InChIKeyUTTCYEKPQLPDPO-UHFFFAOYSA-N
MW409.35 g/mol
LogP3.71
Rot. Bonds6

About 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole

2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 19550576) has the molecular formula C17H15F4N7O and a molecular weight of 409.35 g/mol. Its IUPAC name is 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
PubChem CID19550576
Molecular FormulaC17H15F4N7O
Molecular Weight409.35 g/mol
Exact Mass409.13
IUPAC Name2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1cc(C)n(CCc2nnc(-c3cc4nc(C(F)F)cc(C(F)F)n4n3)o2)n1
InChIInChI=1S/C17H15F4N7O/c1-8-5-9(2)27(25-8)4-3-14-23-24-17(29-14)11-7-13-22-10(15(18)19)6-12(16(20)21)28(13)26-11/h5-7,15-16H,3-4H2,1-2H3
InChIKeyUTTCYEKPQLPDPO-UHFFFAOYSA-N
XLogP3.71
TPSA86.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole 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 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole (CID 19550576) is 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole is Cc1cc(C)n(CCc2nnc(-c3cc4nc(C(F)F)cc(C(F)F)n4n3)o2)n1.
What is the InChIKey of 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is UTTCYEKPQLPDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N7O/c1-8-5-9(2)27(25-8)4-3-14-23-24-17(29-14)11-7-13-22-10(15(18)19)6-12(16(20)21)28(13)26-11/h5-7,15-16H,3-4H2,1-2H3.
What are the key properties of 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 409.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19550576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).