4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile

C30H20N4OS — CID 162640371

IUPAC4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cccc(-c2c(C#N)c(-c3cccs3)nc3c2c(-c2ccccc2)nn3-c2ccccc2)c1
InChIInChI=1S/C30H20N4OS/c1-35-23-15-8-12-21(18-23)26-24(19-31)29(25-16-9-17-36-25)32-30-27(26)28(20-10-4-2-5-11-20)33-34(30)22-13-6-3-7-14-22/h2-18H,1H3
InChIKeyYZBYLSPHGRBUGF-UHFFFAOYSA-N
MW484.58 g/mol
LogP7.36
Rot. Bonds5

About 4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile

4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 162640371) has the molecular formula C30H20N4OS and a molecular weight of 484.58 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID162640371
Molecular FormulaC30H20N4OS
Molecular Weight484.58 g/mol
Exact Mass484.14
IUPAC Name4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cccc(-c2c(C#N)c(-c3cccs3)nc3c2c(-c2ccccc2)nn3-c2ccccc2)c1
InChIInChI=1S/C30H20N4OS/c1-35-23-15-8-12-21(18-23)26-24(19-31)29(25-16-9-17-36-25)32-30-27(26)28(20-10-4-2-5-11-20)33-34(30)22-13-6-3-7-14-22/h2-18H,1H3
InChIKeyYZBYLSPHGRBUGF-UHFFFAOYSA-N
XLogP7.36
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 162655433
4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 102393650
2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile
CID 176522061
2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile
CID 14000355
4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 59807407
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247
6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 102393645
11-(3-methoxyphenyl)-5-methyl-3-phenyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
CID 66506842
3-methyl-5-phenyl-8-thiophen-2-yl-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),3,7-tetraene
CID 53472904
3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine
CID 82370290
5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 71377669

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 162640371) is 4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile is COc1cccc(-c2c(C#N)c(-c3cccs3)nc3c2c(-c2ccccc2)nn3-c2ccccc2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is YZBYLSPHGRBUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4OS/c1-35-23-15-8-12-21(18-23)26-24(19-31)29(25-16-9-17-36-25)32-30-27(26)28(20-10-4-2-5-11-20)33-34(30)22-13-6-3-7-14-22/h2-18H,1H3.
What are the key properties of 4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 484.58 g/mol, XLogP of 7.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 162640371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).