3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine

C23H20BrN3O — CID 25148054

IUPAC3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine
SMILESC=Cc1c(C)nc2c(c(-c3ccc(Br)cc3)nn2-c2ccccc2)c1OCC
InChIInChI=1S/C23H20BrN3O/c1-4-19-15(3)25-23-20(22(19)28-5-2)21(16-11-13-17(24)14-12-16)26-27(23)18-9-7-6-8-10-18/h4,6-14H,1,5H2,2-3H3
InChIKeyINOMCNGNCHCFOU-UHFFFAOYSA-N
MW434.34 g/mol
LogP6.20
Rot. Bonds5

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

3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine (PubChem CID 25148054) has the molecular formula C23H20BrN3O and a molecular weight of 434.34 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine
PubChem CID25148054
Molecular FormulaC23H20BrN3O
Molecular Weight434.34 g/mol
Exact Mass433.08
IUPAC Name3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine
SMILESC=Cc1c(C)nc2c(c(-c3ccc(Br)cc3)nn2-c2ccccc2)c1OCC
InChIInChI=1S/C23H20BrN3O/c1-4-19-15(3)25-23-20(22(19)28-5-2)21(16-11-13-17(24)14-12-16)26-27(23)18-9-7-6-8-10-18/h4,6-14H,1,5H2,2-3H3
InChIKeyINOMCNGNCHCFOU-UHFFFAOYSA-N
XLogP6.20
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.34
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine
CID 2794308
3,6-bis(4-bromophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 11656654
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
6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 102393645
4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233387
4-azido-5-(2-chloroethyl)-3-(4-chlorophenyl)-6-methyl-1-phenylpyrazolo[3,4-b]pyridine
CID 25148231
ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 134853494
2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide
CID 50799140
1-benzyl-5-(4-ethoxyphenyl)-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline
CID 2230110
methyl 6-(4-bromophenyl)-3-methyl-5-[2-(4-methylanilino)-2-oxoacetyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 132571324

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine (CID 25148054) is 3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine is C=Cc1c(C)nc2c(c(-c3ccc(Br)cc3)nn2-c2ccccc2)c1OCC.
What is the InChIKey of 3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine?
The InChIKey is INOMCNGNCHCFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O/c1-4-19-15(3)25-23-20(22(19)28-5-2)21(16-11-13-17(24)14-12-16)26-27(23)18-9-7-6-8-10-18/h4,6-14H,1,5H2,2-3H3.
What are the key properties of 3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine?
3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine has a molecular weight of 434.34 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-ethenyl-4-ethoxy-6-methyl-1-phenylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 25148054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).