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

C16H16N4O — CID 6539536

IUPAC2-methyl-N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide
SMILESCC(C)C(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C16H16N4O/c1-10(2)16(21)18-15-13-8-12(9-17-14(13)19-20-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18,19,20,21)
InChIKeyAXMWKXSPCWMKHN-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.22
Rot. Bonds3

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

2-methyl-N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide (PubChem CID 6539536) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide
PubChem CID6539536
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-methyl-N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide
SMILESCC(C)C(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C16H16N4O/c1-10(2)16(21)18-15-13-8-12(9-17-14(13)19-20-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18,19,20,21)
InChIKeyAXMWKXSPCWMKHN-UHFFFAOYSA-N
XLogP3.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide?
The IUPAC name of 2-methyl-N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide (CID 6539536) is 2-methyl-N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide?
The canonical SMILES for 2-methyl-N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide is CC(C)C(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12.
What is the InChIKey of 2-methyl-N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide?
The InChIKey is AXMWKXSPCWMKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10(2)16(21)18-15-13-8-12(9-17-14(13)19-20-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 2-methyl-N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide?
2-methyl-N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide is sourced from PubChem (CID 6539536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).