6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

C32H17BrClN5 — CID 102393645

IUPAC6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc(-c2c(C#N)c(-c3ccc(Br)cc3)nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C32H17BrClN5/c33-24-14-10-22(11-15-24)30-27(19-36)28(21-8-6-20(18-35)7-9-21)29-31(23-12-16-25(34)17-13-23)38-39(32(29)37-30)26-4-2-1-3-5-26/h1-17H
InChIKeyBCYSCIOVGPLDMP-UHFFFAOYSA-N
MW586.88 g/mol
LogP8.58
Rot. Bonds4

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

6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 102393645) has the molecular formula C32H17BrClN5 and a molecular weight of 586.88 g/mol. Its IUPAC name is 6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID102393645
Molecular FormulaC32H17BrClN5
Molecular Weight586.88 g/mol
Exact Mass585.04
IUPAC Name6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc(-c2c(C#N)c(-c3ccc(Br)cc3)nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C32H17BrClN5/c33-24-14-10-22(11-15-24)30-27(19-36)28(21-8-6-20(18-35)7-9-21)29-31(23-12-16-25(34)17-13-23)38-39(32(29)37-30)26-4-2-1-3-5-26/h1-17H
InChIKeyBCYSCIOVGPLDMP-UHFFFAOYSA-N
XLogP8.58
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.88
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 102393650
3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 11656654
4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 162640371
5-amino-1-(3-bromophenyl)-3-(4-chlorophenyl)pyrazole-4-carbonitrile
CID 171397335
4-(1-phenylindazol-3-yl)benzonitrile
CID 57379769
N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 101462732
12-(4-bromophenyl)-7-methyl-10-phenyl-3-thia-8,10,11-triazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene
CID 25148312
4-(4-chlorophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 164611471
4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135856974
3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 3864258
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile
CID 102168714

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 102393645) is 6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is N#Cc1ccc(-c2c(C#N)c(-c3ccc(Br)cc3)nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)cc1.
What is the InChIKey of 6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is BCYSCIOVGPLDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17BrClN5/c33-24-14-10-22(11-15-24)30-27(19-36)28(21-8-6-20(18-35)7-9-21)29-31(23-12-16-25(34)17-13-23)38-39(32(29)37-30)26-4-2-1-3-5-26/h1-17H.
What are the key properties of 6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 586.88 g/mol, XLogP of 8.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 102393645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).