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

C14H11BrN4O — CID 164618844

IUPACN-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2[nH]nc3ncc(Br)cc23)c1
InChIInChI=1S/C14H11BrN4O/c1-8(20)17-11-4-2-3-9(5-11)13-12-6-10(15)7-16-14(12)19-18-13/h2-7H,1H3,(H,17,20)(H,16,18,19)
InChIKeyKJFGBDYZIORKKA-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.35
Rot. Bonds2

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

N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide (PubChem CID 164618844) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide
PubChem CID164618844
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC NameN-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2[nH]nc3ncc(Br)cc23)c1
InChIInChI=1S/C14H11BrN4O/c1-8(20)17-11-4-2-3-9(5-11)13-12-6-10(15)7-16-14(12)19-18-13/h2-7H,1H3,(H,17,20)(H,16,18,19)
InChIKeyKJFGBDYZIORKKA-UHFFFAOYSA-N
XLogP3.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide (CID 164618844) is N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2[nH]nc3ncc(Br)cc23)c1.
What is the InChIKey of N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide?
The InChIKey is KJFGBDYZIORKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-8(20)17-11-4-2-3-9(5-11)13-12-6-10(15)7-16-14(12)19-18-13/h2-7H,1H3,(H,17,20)(H,16,18,19).
What are the key properties of N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide?
N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide has a molecular weight of 331.17 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 164618844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).