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

C28H21Br2N7O5 — CID 157089319

IUPAC1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCOc1cc2c(cn1)c(C(=O)O)nn2-c1cccc(Br)c1.COc1cc2c(cn1)c(C(N)=O)nn2-c1cccc(Br)c1
InChIInChI=1S/C14H11BrN4O2.C14H10BrN3O3/c1-21-12-6-11-10(7-17-12)13(14(16)20)18-19(11)9-4-2-3-8(15)5-9;1-21-12-6-11-10(7-16-12)13(14(19)20)17-18(11)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,20);2-7H,1H3,(H,19,20)
InChIKeyAELZIDHLQFBWEY-UHFFFAOYSA-N
MW695.33 g/mol
LogP5.18
Rot. Bonds6

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

1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 157089319) has the molecular formula C28H21Br2N7O5 and a molecular weight of 695.33 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID157089319
Molecular FormulaC28H21Br2N7O5
Molecular Weight695.33 g/mol
Exact Mass693.00
IUPAC Name1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCOc1cc2c(cn1)c(C(=O)O)nn2-c1cccc(Br)c1.COc1cc2c(cn1)c(C(N)=O)nn2-c1cccc(Br)c1
InChIInChI=1S/C14H11BrN4O2.C14H10BrN3O3/c1-21-12-6-11-10(7-17-12)13(14(16)20)18-19(11)9-4-2-3-8(15)5-9;1-21-12-6-11-10(7-16-12)13(14(19)20)17-18(11)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,20);2-7H,1H3,(H,19,20)
InChIKeyAELZIDHLQFBWEY-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

2-(3-Bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 117911399
1-(3-bromophenyl)-6-ethoxy-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 117911622
1-(3-bromophenyl)-6-methoxy-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 117911764
2-(3-Bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide
CID 117912125
N-(3-bromophenyl)-6-methoxy-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 117912127
1-(3-bromophenyl)-6-ethoxy-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 117912144
1-(3-bromophenyl)-6-methoxy-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 117912202
1-(3-Iodophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 117923848
6-Methoxy-1-(3-methylphenyl)pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 123399159
(3-bromophenyl)boronic acid;methyl 1-(3-bromophenyl)-6-methylpyrazolo[4,3-c]pyridine-3-carboxylate;methyl 6-methyl-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 157570588
(3-bromophenyl)boronic acid;methyl 1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 159417436
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 157089319) is 1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid is COc1cc2c(cn1)c(C(=O)O)nn2-c1cccc(Br)c1.COc1cc2c(cn1)c(C(N)=O)nn2-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is AELZIDHLQFBWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2.C14H10BrN3O3/c1-21-12-6-11-10(7-17-12)13(14(16)20)18-19(11)9-4-2-3-8(15)5-9;1-21-12-6-11-10(7-16-12)13(14(19)20)17-18(11)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,20);2-7H,1H3,(H,19,20).
What are the key properties of 1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]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[4,3-c]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 157089319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).