N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide

C16H16N4O — CID 6539535

IUPACN-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
SMILESCCCC(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C16H16N4O/c1-2-6-14(21)18-16-13-9-12(10-17-15(13)19-20-16)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H2,17,18,19,20,21)
InChIKeyQQLBWGXVBLHMJR-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.36
Rot. Bonds4

About N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide

N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide (PubChem CID 6539535) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
PubChem CID6539535
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
SMILESCCCC(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C16H16N4O/c1-2-6-14(21)18-16-13-9-12(10-17-15(13)19-20-16)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H2,17,18,19,20,21)
InChIKeyQQLBWGXVBLHMJR-UHFFFAOYSA-N
XLogP3.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide?
The IUPAC name of N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide (CID 6539535) is N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide.
What is the SMILES notation for N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide?
The canonical SMILES for N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide is CCCC(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12.
What is the InChIKey of N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide?
The InChIKey is QQLBWGXVBLHMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-6-14(21)18-16-13-9-12(10-17-15(13)19-20-16)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H2,17,18,19,20,21).
What are the key properties of N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide?
N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide has a molecular weight of 280.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide is sourced from PubChem (CID 6539535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).