6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one

C21H15F2N5O2 — CID 138597774

IUPAC6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one
SMILESCn1nccc1-c1ccccc1N1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O
InChIInChI=1S/C21H15F2N5O2/c1-27-16(8-9-24-27)14-4-2-3-5-17(14)28-11-13-7-6-12(10-15(13)21(28)29)19-25-26-20(30-19)18(22)23/h2-10,18H,11H2,1H3
InChIKeyFAKWQXYTWNSTNC-UHFFFAOYSA-N
MW407.38 g/mol
LogP4.24
Rot. Bonds4

About 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one

6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one (PubChem CID 138597774) has the molecular formula C21H15F2N5O2 and a molecular weight of 407.38 g/mol. Its IUPAC name is 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one
PubChem CID138597774
Molecular FormulaC21H15F2N5O2
Molecular Weight407.38 g/mol
Exact Mass407.12
IUPAC Name6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one
SMILESCn1nccc1-c1ccccc1N1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O
InChIInChI=1S/C21H15F2N5O2/c1-27-16(8-9-24-27)14-4-2-3-5-17(14)28-11-13-7-6-12(10-15(13)21(28)29)19-25-26-20(30-19)18(22)23/h2-10,18H,11H2,1H3
InChIKeyFAKWQXYTWNSTNC-UHFFFAOYSA-N
XLogP4.24
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-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 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one?
The IUPAC name of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one (CID 138597774) is 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one.
What is the SMILES notation for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one?
The canonical SMILES for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one is Cn1nccc1-c1ccccc1N1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O.
What is the InChIKey of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one?
The InChIKey is FAKWQXYTWNSTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O2/c1-27-16(8-9-24-27)14-4-2-3-5-17(14)28-11-13-7-6-12(10-15(13)21(28)29)19-25-26-20(30-19)18(22)23/h2-10,18H,11H2,1H3.
What are the key properties of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one?
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one has a molecular weight of 407.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-methylpyrazol-3-yl)phenyl]-3H-isoindol-1-one is sourced from PubChem (CID 138597774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).