1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid

C28H21Br2N7O5 — CID 161145411

IUPAC1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)nn(-c3cccc(Br)c3)c2n1.COc1ccc2c(C(N)=O)nn(-c3cccc(Br)c3)c2n1
InChIInChI=1S/C14H11BrN4O2.C14H10BrN3O3/c1-21-11-6-5-10-12(13(16)20)18-19(14(10)17-11)9-4-2-3-8(15)7-9;1-21-11-6-5-10-12(14(19)20)17-18(13(10)16-11)9-4-2-3-8(15)7-9/h2-7H,1H3,(H2,16,20);2-7H,1H3,(H,19,20)
InChIKeyUNZGKNKDFOPAOS-UHFFFAOYSA-N
MW695.33 g/mol
LogP5.18
Rot. Bonds6

About 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid

1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid (PubChem CID 161145411) has the molecular formula C28H21Br2N7O5 and a molecular weight of 695.33 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid
PubChem CID161145411
Molecular FormulaC28H21Br2N7O5
Molecular Weight695.33 g/mol
Exact Mass693.00
IUPAC Name1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)nn(-c3cccc(Br)c3)c2n1.COc1ccc2c(C(N)=O)nn(-c3cccc(Br)c3)c2n1
InChIInChI=1S/C14H11BrN4O2.C14H10BrN3O3/c1-21-11-6-5-10-12(13(16)20)18-19(14(10)17-11)9-4-2-3-8(15)7-9;1-21-11-6-5-10-12(14(19)20)17-18(13(10)16-11)9-4-2-3-8(15)7-9/h2-7H,1H3,(H2,16,20);2-7H,1H3,(H,19,20)
InChIKeyUNZGKNKDFOPAOS-UHFFFAOYSA-N
XLogP5.18
TPSA160.27 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.33
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-(3-ethynylphenyl)-5-methoxypyrazolo[3,4-c]pyridazine-3-carboxamide
CID 123403814
5-bromo-1-phenylindazole-3-carboxylic acid
CID 139220428
1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine
CID 141445000
2-(3-bromophenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 75481580
1-(3-bromophenyl)-5-tert-butyltriazole-4-carboxylic acid
CID 43325160
ethyl 1-(3-bromophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate
CID 7386837
(4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125481313
ethyl 1-(3-bromophenyl)-4-methyl-5-phenylpyrazole-3-carboxylate
CID 52951025
1-(3-bromophenyl)-5-chloro-3-(methoxymethyl)pyrazole-4-carboxylic acid
CID 62320459
1-(3-bromophenyl)-4-nitropyrazole-3-carboxamide
CID 138694686
2-(3-bromophenyl)pyrazole-3-carboxylic acid
CID 83740815
1-(3-bromophenyl)-3-methylfuro[3,2-d]pyrazole-5-carboxylic acid
CID 84604382

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid (CID 161145411) is 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid is COc1ccc2c(C(=O)O)nn(-c3cccc(Br)c3)c2n1.COc1ccc2c(C(N)=O)nn(-c3cccc(Br)c3)c2n1.
What is the InChIKey of 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid?
The InChIKey is UNZGKNKDFOPAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2.C14H10BrN3O3/c1-21-11-6-5-10-12(13(16)20)18-19(14(10)17-11)9-4-2-3-8(15)7-9;1-21-11-6-5-10-12(14(19)20)17-18(13(10)16-11)9-4-2-3-8(15)7-9/h2-7H,1H3,(H2,16,20);2-7H,1H3,(H,19,20).
What are the key properties of 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid?
1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid has a molecular weight of 695.33 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 161145411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).