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

C17H17F2N5O4S — CID 50997675

IUPAC2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(OC)nn3c2)c1F
InChIInChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)23-12-5-4-11(18)15(16(12)19)17(25)21-10-8-20-13-7-14(28-2)22-24(13)9-10/h4-5,7-9,23H,3,6H2,1-2H3,(H,21,25)
InChIKeyIYQRNOWHHGWTPZ-UHFFFAOYSA-N
MW425.42 g/mol
LogP2.42
Rot. Bonds7

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

2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide (PubChem CID 50997675) has the molecular formula C17H17F2N5O4S and a molecular weight of 425.42 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide
PubChem CID50997675
Molecular FormulaC17H17F2N5O4S
Molecular Weight425.42 g/mol
Exact Mass425.10
IUPAC Name2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(OC)nn3c2)c1F
InChIInChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)23-12-5-4-11(18)15(16(12)19)17(25)21-10-8-20-13-7-14(28-2)22-24(13)9-10/h4-5,7-9,23H,3,6H2,1-2H3,(H,21,25)
InChIKeyIYQRNOWHHGWTPZ-UHFFFAOYSA-N
XLogP2.42
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide
CID 67971007
2,6-difluoro-N-[2-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide
CID 50994977
2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide
CID 50997680
2,6-difluoro-N-(3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide
CID 71552688
N-[2-chloro-4-fluoro-3-[2-[2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]acetyl]phenyl]propane-1-sulfonamide
CID 149404802
1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen
CID 143860320
2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 58227760
N-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(3-propylsulfonylpropylsulfonylamino)benzamide
CID 68640540
N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propane-1-sulfonamide
CID 123580553
6-fluoro-2-methyl-3-(3-propylsulfonylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 68641267
3-(chloromethylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 58251997
2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 87290017

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide?
The IUPAC name of 2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide (CID 50997675) is 2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide?
The canonical SMILES for 2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(OC)nn3c2)c1F.
What is the InChIKey of 2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide?
The InChIKey is IYQRNOWHHGWTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)23-12-5-4-11(18)15(16(12)19)17(25)21-10-8-20-13-7-14(28-2)22-24(13)9-10/h4-5,7-9,23H,3,6H2,1-2H3,(H,21,25).
What are the key properties of 2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide?
2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide has a molecular weight of 425.42 g/mol, XLogP of 2.42, 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-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 50997675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).