2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide

C20H21F2N5O4S — CID 50997680

IUPAC2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C4CCOC4)nn3c2)c1F
InChIInChI=1S/C20H21F2N5O4S/c1-2-7-32(29,30)26-15-4-3-14(21)18(19(15)22)20(28)24-13-9-23-17-8-16(25-27(17)10-13)12-5-6-31-11-12/h3-4,8-10,12,26H,2,5-7,11H2,1H3,(H,24,28)
InChIKeyUAIPKWBSQHQPNU-UHFFFAOYSA-N
MW465.48 g/mol
LogP2.92
Rot. Bonds7

About 2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide

2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide (PubChem CID 50997680) has the molecular formula C20H21F2N5O4S and a molecular weight of 465.48 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide
PubChem CID50997680
Molecular FormulaC20H21F2N5O4S
Molecular Weight465.48 g/mol
Exact Mass465.13
IUPAC Name2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C4CCOC4)nn3c2)c1F
InChIInChI=1S/C20H21F2N5O4S/c1-2-7-32(29,30)26-15-4-3-14(21)18(19(15)22)20(28)24-13-9-23-17-8-16(25-27(17)10-13)12-5-6-31-11-12/h3-4,8-10,12,26H,2,5-7,11H2,1H3,(H,24,28)
InChIKeyUAIPKWBSQHQPNU-UHFFFAOYSA-N
XLogP2.92
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide 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 2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide (CID 50997680) is 2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C4CCOC4)nn3c2)c1F.
What is the InChIKey of 2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide?
The InChIKey is UAIPKWBSQHQPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O4S/c1-2-7-32(29,30)26-15-4-3-14(21)18(19(15)22)20(28)24-13-9-23-17-8-16(25-27(17)10-13)12-5-6-31-11-12/h3-4,8-10,12,26H,2,5-7,11H2,1H3,(H,24,28).
What are the key properties of 2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide?
2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide has a molecular weight of 465.48 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 50997680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).