1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid
C34H25Br2N11O3 — CID 159323174
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCn1ccc(-c2cnc3c(c2)c(C(=O)O)nn3-c2cccc(Br)c2)n1.Cn1ccc(-c2cnc3c(c2)c(C(N)=O)nn3-c2cccc(Br)c2)n1
InChIInChI=1S/C17H13BrN6O.C17H12BrN5O2/c1-23-6-5-14(21-23)10-7-13-15(16(19)25)22-24(17(13)20-9-10)12-4-2-3-11(18)8-12;1-22-6-5-14(20-22)10-7-13-15(17(24)25)21-23(16(13)19-9-10)12-4-2-3-11(18)8-12/h2-9H,1H3,(H2,19,25);2-9H,1H3,(H,24,25)
InChIKeyLEAHLLDPCURSFR-UHFFFAOYSA-N
MW795.46 g/mol
LogP5.96
Rot. Bonds6
About 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid
1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid (PubChem CID 159323174) has the molecular formula C34H25Br2N11O3 and a molecular weight of 795.46 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid.
Molecular Properties
| Compound Name | 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid |
|---|---|
| PubChem CID | 159323174 |
| Molecular Formula | C34H25Br2N11O3 |
| Molecular Weight | 795.46 g/mol |
| Exact Mass | 793.05 |
| IUPAC Name | 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid |
| SMILES | Cn1ccc(-c2cnc3c(c2)c(C(=O)O)nn3-c2cccc(Br)c2)n1.Cn1ccc(-c2cnc3c(c2)c(C(N)=O)nn3-c2cccc(Br)c2)n1 |
| InChI | InChI=1S/C17H13BrN6O.C17H12BrN5O2/c1-23-6-5-14(21-23)10-7-13-15(16(19)25)22-24(17(13)20-9-10)12-4-2-3-11(18)8-12;1-22-6-5-14(20-22)10-7-13-15(17(24)25)21-23(16(13)19-9-10)12-4-2-3-11(18)8-12/h2-9H,1H3,(H2,19,25);2-9H,1H3,(H,24,25) |
| InChIKey | LEAHLLDPCURSFR-UHFFFAOYSA-N |
| XLogP | 5.96 |
| TPSA | 177.45 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 50 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 795.46 |
| LogP ≤ 5 | 5.96 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 12 |
Frequently Asked Questions
What is the IUPAC name of 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid (CID 159323174) is 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid is Cn1ccc(-c2cnc3c(c2)c(C(=O)O)nn3-c2cccc(Br)c2)n1.Cn1ccc(-c2cnc3c(c2)c(C(N)=O)nn3-c2cccc(Br)c2)n1.
What is the InChIKey of 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The InChIKey is LEAHLLDPCURSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN6O.C17H12BrN5O2/c1-23-6-5-14(21-23)10-7-13-15(16(19)25)22-24(17(13)20-9-10)12-4-2-3-11(18)8-12;1-22-6-5-14(20-22)10-7-13-15(17(24)25)21-23(16(13)19-9-10)12-4-2-3-11(18)8-12/h2-9H,1H3,(H2,19,25);2-9H,1H3,(H,24,25).
What are the key properties of 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid?
1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-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-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 159323174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159323174 — identifiers, structure, computed properties (public domain)
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