3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine

C25H18BrN3O — CID 2794308

IUPAC3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2ccc3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C25H18BrN3O/c1-30-21-13-9-17(10-14-21)23-16-15-22-24(18-7-11-19(26)12-8-18)28-29(25(22)27-23)20-5-3-2-4-6-20/h2-16H,1H3
InChIKeyPMLCXXQETLGUBH-UHFFFAOYSA-N
MW456.34 g/mol
LogP6.53
Rot. Bonds4

About 3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine

3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine (PubChem CID 2794308) has the molecular formula C25H18BrN3O and a molecular weight of 456.34 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine
PubChem CID2794308
Molecular FormulaC25H18BrN3O
Molecular Weight456.34 g/mol
Exact Mass455.06
IUPAC Name3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2ccc3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C25H18BrN3O/c1-30-21-13-9-17(10-14-21)23-16-15-22-24(18-7-11-19(26)12-8-18)28-29(25(22)27-23)20-5-3-2-4-6-20/h2-16H,1H3
InChIKeyPMLCXXQETLGUBH-UHFFFAOYSA-N
XLogP6.53
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.34
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine
CID 4671441
1-(4-bromophenyl)-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole
CID 68883324
3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 11656654
4-(4-bromophenyl)-2-ethyl-5-(4-methoxyphenyl)triazole
CID 71126308
3-(4-bromophenyl)-7,7-dimethyl-1-phenyl-6,8-dihydropyrazolo[3,4-b]quinolin-5-one
CID 2794326
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
3-(4-methoxyphenyl)-1-phenylpyrazolo[4,3-c][1,6]naphthyridine
CID 97032775
anisole;1-bromo-4-(4-bromophenyl)benzene
CID 159969810
4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole
CID 172991391
3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430
3-(4-bromophenyl)-1-(4-methoxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3795495
8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one
CID 19700943

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine?
The IUPAC name of 3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine (CID 2794308) is 3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine is COc1ccc(-c2ccc3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine?
The InChIKey is PMLCXXQETLGUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrN3O/c1-30-21-13-9-17(10-14-21)23-16-15-22-24(18-7-11-19(26)12-8-18)28-29(25(22)27-23)20-5-3-2-4-6-20/h2-16H,1H3.
What are the key properties of 3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine?
3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine has a molecular weight of 456.34 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 2794308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).