3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide

C20H13FN6O — CID 169418083

IUPAC3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1cc(F)cc(-c2cnc3c(C#N)cnn3c2)c1
InChIInChI=1S/C20H13FN6O/c1-12-18(3-2-4-23-12)26-20(28)14-5-13(6-17(21)7-14)16-9-24-19-15(8-22)10-25-27(19)11-16/h2-7,9-11H,1H3,(H,26,28)
InChIKeyCPHDCZUSYKWGJL-UHFFFAOYSA-N
MW372.36 g/mol
LogP3.36
Rot. Bonds3

About 3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide

3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide (PubChem CID 169418083) has the molecular formula C20H13FN6O and a molecular weight of 372.36 g/mol. Its IUPAC name is 3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide
PubChem CID169418083
Molecular FormulaC20H13FN6O
Molecular Weight372.36 g/mol
Exact Mass372.11
IUPAC Name3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1cc(F)cc(-c2cnc3c(C#N)cnn3c2)c1
InChIInChI=1S/C20H13FN6O/c1-12-18(3-2-4-23-12)26-20(28)14-5-13(6-17(21)7-14)16-9-24-19-15(8-22)10-25-27(19)11-16/h2-7,9-11H,1H3,(H,26,28)
InChIKeyCPHDCZUSYKWGJL-UHFFFAOYSA-N
XLogP3.36
TPSA95.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653
3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide
CID 79042253
5-fluoro-N-(2-methyl-3-pyridinyl)-2-nitrobenzamide
CID 79041873
N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide
CID 103819167
3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739659
3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 103715047
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide
CID 79042973
4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79042631
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79043001
2-fluoro-6-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 104917973
N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 115659818
4-(methylamino)-N-(2-methyl-3-pyridinyl)benzamide
CID 79043682

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide (CID 169418083) is 3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide is Cc1ncccc1NC(=O)c1cc(F)cc(-c2cnc3c(C#N)cnn3c2)c1.
What is the InChIKey of 3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide?
The InChIKey is CPHDCZUSYKWGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6O/c1-12-18(3-2-4-23-12)26-20(28)14-5-13(6-17(21)7-14)16-9-24-19-15(8-22)10-25-27(19)11-16/h2-7,9-11H,1H3,(H,26,28).
What are the key properties of 3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide?
3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide has a molecular weight of 372.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 169418083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).