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

C25H14Br2N4 — CID 11656654

IUPAC3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cc2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2nc1-c1ccc(Br)cc1
InChIInChI=1S/C25H14Br2N4/c26-19-10-6-16(7-11-19)23-18(15-28)14-22-24(17-8-12-20(27)13-9-17)30-31(25(22)29-23)21-4-2-1-3-5-21/h1-14H
InChIKeyAYUCHLUQQOWQHB-UHFFFAOYSA-N
MW530.22 g/mol
LogP7.15
Rot. Bonds3

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

3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 11656654) has the molecular formula C25H14Br2N4 and a molecular weight of 530.22 g/mol. Its IUPAC name is 3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID11656654
Molecular FormulaC25H14Br2N4
Molecular Weight530.22 g/mol
Exact Mass527.96
IUPAC Name3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cc2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2nc1-c1ccc(Br)cc1
InChIInChI=1S/C25H14Br2N4/c26-19-10-6-16(7-11-19)23-18(15-28)14-22-24(17-8-12-20(27)13-9-17)30-31(25(22)29-23)21-4-2-1-3-5-21/h1-14H
InChIKeyAYUCHLUQQOWQHB-UHFFFAOYSA-N
XLogP7.15
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.22
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-7,7-dimethyl-1-phenyl-6,8-dihydropyrazolo[3,4-b]quinolin-5-one
CID 2794326
3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine
CID 2794308
6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 102393645
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-(1-phenylindazol-3-yl)benzonitrile
CID 57379769
1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline
CID 15853936
1-phenyl-6-pyridin-2-yl-3-pyridin-4-ylpyrazolo[5,4-b]quinoline
CID 147720550
3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine
CID 25148054
8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline
CID 20852418
1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 16778556
4-(4-bromophenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole-5-carbonitrile
CID 6029404
8-(4-bromophenyl)-3-methyl-5-phenyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene
CID 139221262

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 11656654) is 3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is N#Cc1cc2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2nc1-c1ccc(Br)cc1.
What is the InChIKey of 3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is AYUCHLUQQOWQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Br2N4/c26-19-10-6-16(7-11-19)23-18(15-28)14-22-24(17-8-12-20(27)13-9-17)30-31(25(22)29-23)21-4-2-1-3-5-21/h1-14H.
What are the key properties of 3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 530.22 g/mol, XLogP of 7.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 11656654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).