4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide

C15H9F2N5O — CID 75393131

IUPAC4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCc1[nH]nc2ncc(NC(=O)c3c(F)cc(C#N)cc3F)cc12
InChIInChI=1S/C15H9F2N5O/c1-7-10-4-9(6-19-14(10)22-21-7)20-15(23)13-11(16)2-8(5-18)3-12(13)17/h2-4,6H,1H3,(H,20,23)(H,19,21,22)
InChIKeyRTHWNVYLSWJLOS-UHFFFAOYSA-N
MW313.27 g/mol
LogP2.67
Rot. Bonds2

About 4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide

4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide (PubChem CID 75393131) has the molecular formula C15H9F2N5O and a molecular weight of 313.27 g/mol. Its IUPAC name is 4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
PubChem CID75393131
Molecular FormulaC15H9F2N5O
Molecular Weight313.27 g/mol
Exact Mass313.08
IUPAC Name4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCc1[nH]nc2ncc(NC(=O)c3c(F)cc(C#N)cc3F)cc12
InChIInChI=1S/C15H9F2N5O/c1-7-10-4-9(6-19-14(10)22-21-7)20-15(23)13-11(16)2-8(5-18)3-12(13)17/h2-4,6H,1H3,(H,20,23)(H,19,21,22)
InChIKeyRTHWNVYLSWJLOS-UHFFFAOYSA-N
XLogP2.67
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90241214
4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide
CID 99627929
N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259196
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide
CID 99715700
3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 86843489
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
CID 86843550
3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide
CID 86843240
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 86843310
5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide
CID 86843572
1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea
CID 75447177
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 139010453
2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride
CID 120987482

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide (CID 75393131) is 4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide is Cc1[nH]nc2ncc(NC(=O)c3c(F)cc(C#N)cc3F)cc12.
What is the InChIKey of 4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The InChIKey is RTHWNVYLSWJLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N5O/c1-7-10-4-9(6-19-14(10)22-21-7)20-15(23)13-11(16)2-8(5-18)3-12(13)17/h2-4,6H,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide has a molecular weight of 313.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 75393131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).