1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid

C24H15Br2N9O3 — CID 158932156

IUPAC1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESNC(=O)c1nn(-c2cncc(Br)c2)c2ncccc12.O=C(O)c1nn(-c2cncc(Br)c2)c2ncccc12
InChIInChI=1S/C12H8BrN5O.C12H7BrN4O2/c13-7-4-8(6-15-5-7)18-12-9(2-1-3-16-12)10(17-18)11(14)19;13-7-4-8(6-14-5-7)17-11-9(2-1-3-15-11)10(16-17)12(18)19/h1-6H,(H2,14,19);1-6H,(H,18,19)
InChIKeyJJEWRIRQJZBVQI-UHFFFAOYSA-N
MW637.25 g/mol
LogP3.95
Rot. Bonds4

About 1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid

1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid (PubChem CID 158932156) has the molecular formula C24H15Br2N9O3 and a molecular weight of 637.25 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid
PubChem CID158932156
Molecular FormulaC24H15Br2N9O3
Molecular Weight637.25 g/mol
Exact Mass634.97
IUPAC Name1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESNC(=O)c1nn(-c2cncc(Br)c2)c2ncccc12.O=C(O)c1nn(-c2cncc(Br)c2)c2ncccc12
InChIInChI=1S/C12H8BrN5O.C12H7BrN4O2/c13-7-4-8(6-15-5-7)18-12-9(2-1-3-16-12)10(17-18)11(14)19;13-7-4-8(6-14-5-7)17-11-9(2-1-3-15-11)10(16-17)12(18)19/h1-6H,(H2,14,19);1-6H,(H,18,19)
InChIKeyJJEWRIRQJZBVQI-UHFFFAOYSA-N
XLogP3.95
TPSA167.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.25
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid with MolForge

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Related Compounds

6-(4-Bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600248
4-(4-Bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328410
4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 71709461
1-(3-Bromo-5-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 117911793
1-(3-Bromo-4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 117911967
2-(4-Bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 134430723
1-(3-Bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 141444874
2-(4-Bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 142600204
2-(4-Bromo-2-fluorophenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 154635405
7-Amino-10-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-12-methyl-4-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
CID 155579839
2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid
CID 158877196
pyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
CID 159079913

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid (CID 158932156) is 1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid is NC(=O)c1nn(-c2cncc(Br)c2)c2ncccc12.O=C(O)c1nn(-c2cncc(Br)c2)c2ncccc12.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The InChIKey is JJEWRIRQJZBVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN5O.C12H7BrN4O2/c13-7-4-8(6-15-5-7)18-12-9(2-1-3-16-12)10(17-18)11(14)19;13-7-4-8(6-14-5-7)17-11-9(2-1-3-15-11)10(16-17)12(18)19/h1-6H,(H2,14,19);1-6H,(H,18,19).
What are the key properties of 1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid?
1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid has a molecular weight of 637.25 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(5-bromo-3-pyridinyl)pyrazolo[5,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 158932156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).