3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide

C25H16N6O — CID 58970133

IUPAC3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(-c3ccnc4cc(-c5ccncc5)nn34)c2)c1
InChIInChI=1S/C25H16N6O/c26-16-17-3-1-5-20(13-17)25(32)29-21-6-2-4-19(14-21)23-9-12-28-24-15-22(30-31(23)24)18-7-10-27-11-8-18/h1-15H,(H,29,32)
InChIKeyYWBIZOJRUPBZPZ-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.58
Rot. Bonds4

About 3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide

3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide (PubChem CID 58970133) has the molecular formula C25H16N6O and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
PubChem CID58970133
Molecular FormulaC25H16N6O
Molecular Weight416.44 g/mol
Exact Mass416.14
IUPAC Name3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(-c3ccnc4cc(-c5ccncc5)nn34)c2)c1
InChIInChI=1S/C25H16N6O/c26-16-17-3-1-5-20(13-17)25(32)29-21-6-2-4-19(14-21)23-9-12-28-24-15-22(30-31(23)24)18-7-10-27-11-8-18/h1-15H,(H,29,32)
InChIKeyYWBIZOJRUPBZPZ-UHFFFAOYSA-N
XLogP4.58
TPSA95.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036320
N-[3-[2-(3-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 46883539
1-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46883714
4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide
CID 143544079
3-cyano-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036202
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753100
N-(3-cyanophenyl)-1-[4-[5-[(3-cyanophenyl)carbamoyl]-3-pyridin-4-ylpyrazol-1-yl]butyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 175497566
3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286155
7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 58970141
2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
CID 168523396
3-cyano-N-(5-phenyl-3-pyridinyl)benzamide
CID 110713713

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide (CID 58970133) is 3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide is N#Cc1cccc(C(=O)Nc2cccc(-c3ccnc4cc(-c5ccncc5)nn34)c2)c1.
What is the InChIKey of 3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
The InChIKey is YWBIZOJRUPBZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6O/c26-16-17-3-1-5-20(13-17)25(32)29-21-6-2-4-19(14-21)23-9-12-28-24-15-22(30-31(23)24)18-7-10-27-11-8-18/h1-15H,(H,29,32).
What are the key properties of 3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide has a molecular weight of 416.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide is sourced from PubChem (CID 58970133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).