2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile

C27H19N5O2 — CID 56592695

IUPAC2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccccc1C#N
InChIInChI=1S/C27H19N5O2/c1-32-23-15-30-22-12-24(33-2)25(34-16-20-6-4-3-5-19(20)14-29)11-21(22)26(23)27(31-32)18-9-7-17(13-28)8-10-18/h3-12,15H,16H2,1-2H3
InChIKeyIAWNCGYLNZKFFT-UHFFFAOYSA-N
MW445.48 g/mol
LogP5.12
Rot. Bonds5

About 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile

2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile (PubChem CID 56592695) has the molecular formula C27H19N5O2 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile
PubChem CID56592695
Molecular FormulaC27H19N5O2
Molecular Weight445.48 g/mol
Exact Mass445.15
IUPAC Name2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccccc1C#N
InChIInChI=1S/C27H19N5O2/c1-32-23-15-30-22-12-24(33-2)25(34-16-20-6-4-3-5-19(20)14-29)11-21(22)26(23)27(31-32)18-9-7-17(13-28)8-10-18/h3-12,15H,16H2,1-2H3
InChIKeyIAWNCGYLNZKFFT-UHFFFAOYSA-N
XLogP5.12
TPSA96.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.48
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile?
The IUPAC name of 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile (CID 56592695) is 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile.
What is the SMILES notation for 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile?
The canonical SMILES for 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile is COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccccc1C#N.
What is the InChIKey of 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile?
The InChIKey is IAWNCGYLNZKFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O2/c1-32-23-15-30-22-12-24(33-2)25(34-16-20-6-4-3-5-19(20)14-29)11-21(22)26(23)27(31-32)18-9-7-17(13-28)8-10-18/h3-12,15H,16H2,1-2H3.
What are the key properties of 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile?
2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile has a molecular weight of 445.48 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile is sourced from PubChem (CID 56592695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).