1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate

C29H23Br2N7O5 — CID 159614926

IUPAC1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(-c2cc(Br)cc(OC)c2)c2ncccc12.COc1cc(Br)cc(-n2nc(C(N)=O)c3cccnc32)c1
InChIInChI=1S/C15H12BrN3O3.C14H11BrN4O2/c1-21-11-7-9(16)6-10(8-11)19-14-12(4-3-5-17-14)13(18-19)15(20)22-2;1-21-10-6-8(15)5-9(7-10)19-14-11(3-2-4-17-14)12(18-19)13(16)20/h3-8H,1-2H3;2-7H,1H3,(H2,16,20)
InChIKeyMNDZFPYOQREQIZ-UHFFFAOYSA-N
MW709.36 g/mol
LogP5.27
Rot. Bonds6

About 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate

1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 159614926) has the molecular formula C29H23Br2N7O5 and a molecular weight of 709.36 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Name1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID159614926
Molecular FormulaC29H23Br2N7O5
Molecular Weight709.36 g/mol
Exact Mass707.01
IUPAC Name1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(-c2cc(Br)cc(OC)c2)c2ncccc12.COc1cc(Br)cc(-n2nc(C(N)=O)c3cccnc32)c1
InChIInChI=1S/C15H12BrN3O3.C14H11BrN4O2/c1-21-11-7-9(16)6-10(8-11)19-14-12(4-3-5-17-14)13(18-19)15(20)22-2;1-21-10-6-8(15)5-9(7-10)19-14-11(3-2-4-17-14)12(18-19)13(16)20/h3-8H,1-2H3;2-7H,1H3,(H2,16,20)
InChIKeyMNDZFPYOQREQIZ-UHFFFAOYSA-N
XLogP5.27
TPSA149.27 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500709.36
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate with MolForge

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Related Compounds

7-(1,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4865272
1-[3-Bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 117911727
methyl 1-[3-bromo-5-(difluoromethoxy)phenyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 117923770
Methyl 1-[3-bromo-5-(1-fluoroethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate
CID 129155385
1-[3-Bromo-5-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carboxylate
CID 154071828
2-(3-Bromophenyl)-5-methoxypyrazolo[3,4-b]pyridine-3-carboxamide
CID 117911307
2-(3-Bromo-5-methoxyphenyl)pyrazolo[3,4-b]pyridine-3-carboxamide
CID 117911867
N-(3-bromo-5-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 117911868
Methyl 2-(3-bromo-5-methoxyphenyl)pyrazolo[3,4-b]pyridine-3-carboxylate
CID 117912068
2-(3-Bromo-5-methoxyphenyl)pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 117912121
Methyl 1-(3-bromophenyl)-5-methoxy-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 117923576
Methyl 1-(3-bromo-5-methoxy-phenyl)pyrazolo[3,4-b]pyridine-3-carboxylate
CID 117923659

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate (CID 159614926) is 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate is COC(=O)c1nn(-c2cc(Br)cc(OC)c2)c2ncccc12.COc1cc(Br)cc(-n2nc(C(N)=O)c3cccnc32)c1.
What is the InChIKey of 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is MNDZFPYOQREQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3.C14H11BrN4O2/c1-21-11-7-9(16)6-10(8-11)19-14-12(4-3-5-17-14)13(18-19)15(20)22-2;1-21-10-6-8(15)5-9(7-10)19-14-11(3-2-4-17-14)12(18-19)13(16)20/h3-8H,1-2H3;2-7H,1H3,(H2,16,20).
What are the key properties of 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 709.36 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxamide;methyl 1-(3-bromo-5-methoxyphenyl)pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 159614926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).