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

C14H11BrN4O — CID 164611712

IUPACN-[4-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2[nH]nc3ncc(Br)cc23)cc1
InChIInChI=1S/C14H11BrN4O/c1-8(20)17-11-4-2-9(3-5-11)13-12-6-10(15)7-16-14(12)19-18-13/h2-7H,1H3,(H,17,20)(H,16,18,19)
InChIKeyBJJWSZXBTSYUIF-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.35
Rot. Bonds2

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

N-[4-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide (PubChem CID 164611712) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is N-[4-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide
PubChem CID164611712
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC NameN-[4-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2[nH]nc3ncc(Br)cc23)cc1
InChIInChI=1S/C14H11BrN4O/c1-8(20)17-11-4-2-9(3-5-11)13-12-6-10(15)7-16-14(12)19-18-13/h2-7H,1H3,(H,17,20)(H,16,18,19)
InChIKeyBJJWSZXBTSYUIF-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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Related Compounds

Pyrazolopyridine deriv. 9
CID 6539533
N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
CID 6539535
N-[5-(2-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539542
N-(5-Pyridin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)butyramide
CID 6539546
N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide
CID 6539578
n-[4-(3-Amino-1h-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-n'-(3-methylphenyl)urea
CID 11646161
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3,5-dimethylphenyl)urea
CID 11660744
1-[4-(3-amino-1H-pyrazolo[3,4-b]pyrid-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 11710567
N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}propanamide
CID 6539534
2-methyl-N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}propanamide
CID 6539536
N-[5-(3-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539543
N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539544

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide (CID 164611712) is N-[4-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2[nH]nc3ncc(Br)cc23)cc1.
What is the InChIKey of N-[4-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide?
The InChIKey is BJJWSZXBTSYUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-8(20)17-11-4-2-9(3-5-11)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-[4-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide?
N-[4-(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-[4-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 164611712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).