1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid

C34H25Br2N11O3 — CID 158296615

IUPAC1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCn1cc(-c2cnc3c(c2)c(C(=O)O)nn3-c2cccc(Br)c2)cn1.Cn1cc(-c2cnc3c(c2)c(C(N)=O)nn3-c2cccc(Br)c2)cn1
InChIInChI=1S/C17H13BrN6O.C17H12BrN5O2/c1-23-9-11(8-21-23)10-5-14-15(16(19)25)22-24(17(14)20-7-10)13-4-2-3-12(18)6-13;1-22-9-11(8-20-22)10-5-14-15(17(24)25)21-23(16(14)19-7-10)13-4-2-3-12(18)6-13/h2-9H,1H3,(H2,19,25);2-9H,1H3,(H,24,25)
InChIKeyGLZKCTGTBAJLHS-UHFFFAOYSA-N
MW795.46 g/mol
LogP5.96
Rot. Bonds6

About 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid

1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid (PubChem CID 158296615) has the molecular formula C34H25Br2N11O3 and a molecular weight of 795.46 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid
PubChem CID158296615
Molecular FormulaC34H25Br2N11O3
Molecular Weight795.46 g/mol
Exact Mass793.05
IUPAC Name1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCn1cc(-c2cnc3c(c2)c(C(=O)O)nn3-c2cccc(Br)c2)cn1.Cn1cc(-c2cnc3c(c2)c(C(N)=O)nn3-c2cccc(Br)c2)cn1
InChIInChI=1S/C17H13BrN6O.C17H12BrN5O2/c1-23-9-11(8-21-23)10-5-14-15(16(19)25)22-24(17(14)20-7-10)13-4-2-3-12(18)6-13;1-22-9-11(8-20-22)10-5-14-15(17(24)25)21-23(16(14)19-7-10)13-4-2-3-12(18)6-13/h2-9H,1H3,(H2,19,25);2-9H,1H3,(H,24,25)
InChIKeyGLZKCTGTBAJLHS-UHFFFAOYSA-N
XLogP5.96
TPSA177.45 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500795.46
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

6-(4-Bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600248
6-[4-(4-Bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600806
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
4-[7-Amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid
CID 46946746
5-[7-Amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid
CID 68072107
5-[7-Amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid
CID 68072109
4-[7-Amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid
CID 70217625
4-[6-Bromo-7-(methylamino)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid
CID 90727803
5-[6-Bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid
CID 91011303
5-[7-Amino-6-bromo-3-(1-cyclohexa-1,5-dien-1-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid
CID 91111645
4-[6-Bromo-7-methyl-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid
CID 91245425

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid (CID 158296615) is 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid is Cn1cc(-c2cnc3c(c2)c(C(=O)O)nn3-c2cccc(Br)c2)cn1.Cn1cc(-c2cnc3c(c2)c(C(N)=O)nn3-c2cccc(Br)c2)cn1.
What is the InChIKey of 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The InChIKey is GLZKCTGTBAJLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN6O.C17H12BrN5O2/c1-23-9-11(8-21-23)10-5-14-15(16(19)25)22-24(17(14)20-7-10)13-4-2-3-12(18)6-13;1-22-9-11(8-20-22)10-5-14-15(17(24)25)21-23(16(14)19-7-10)13-4-2-3-12(18)6-13/h2-9H,1H3,(H2,19,25);2-9H,1H3,(H,24,25).
What are the key properties of 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid?
1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid has a molecular weight of 795.46 g/mol, XLogP of 5.96, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 158296615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).