4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C20H13BrN4O — CID 135856974

IUPAC4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(C#N)c(-c3ccc(Br)cc3)c12
InChIInChI=1S/C20H13BrN4O/c1-12-17-18(13-7-9-14(21)10-8-13)16(11-22)20(26)23-19(17)25(24-12)15-5-3-2-4-6-15/h2-10H,1H3,(H,23,26)
InChIKeyLKAYFGNMFAOARZ-UHFFFAOYSA-N
MW405.26 g/mol
LogP4.32
Rot. Bonds2

About 4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135856974) has the molecular formula C20H13BrN4O and a molecular weight of 405.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135856974
Molecular FormulaC20H13BrN4O
Molecular Weight405.26 g/mol
Exact Mass404.03
IUPAC Name4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(C#N)c(-c3ccc(Br)cc3)c12
InChIInChI=1S/C20H13BrN4O/c1-12-17-18(13-7-9-14(21)10-8-13)16(11-22)20(26)23-19(17)25(24-12)15-5-3-2-4-6-15/h2-10H,1H3,(H,23,26)
InChIKeyLKAYFGNMFAOARZ-UHFFFAOYSA-N
XLogP4.32
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135520893
1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135400092
5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135823739
1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39375121
2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 14269650
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile
CID 102168714
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 7023171
(11Z)-11-(1-anilinoethylidene)-3-methyl-5,12-diphenyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3-triene-8,10-dione
CID 136716740
6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 102393645
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135856974) is 4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile is Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C#N)c(-c3ccc(Br)cc3)c12.
What is the InChIKey of 4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is LKAYFGNMFAOARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN4O/c1-12-17-18(13-7-9-14(21)10-8-13)16(11-22)20(26)23-19(17)25(24-12)15-5-3-2-4-6-15/h2-10H,1H3,(H,23,26).
What are the key properties of 4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 405.26 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135856974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).