3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile

C22H18N4O — CID 50793788

IUPAC3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile
SMILESCc1cc(OCc2cccc(C#N)c2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C22H18N4O/c1-15-11-20(27-14-18-8-6-7-17(12-18)13-23)24-22-21(15)16(2)25-26(22)19-9-4-3-5-10-19/h3-12H,14H2,1-2H3
InChIKeyRVPATZOYGPNSEP-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.49
Rot. Bonds4

About 3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile

3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile (PubChem CID 50793788) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile
PubChem CID50793788
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile
SMILESCc1cc(OCc2cccc(C#N)c2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C22H18N4O/c1-15-11-20(27-14-18-8-6-7-17(12-18)13-23)24-22-21(15)16(2)25-26(22)19-9-4-3-5-10-19/h3-12H,14H2,1-2H3
InChIKeyRVPATZOYGPNSEP-UHFFFAOYSA-N
XLogP4.49
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-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 3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile?
The IUPAC name of 3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile (CID 50793788) is 3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile?
The canonical SMILES for 3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile is Cc1cc(OCc2cccc(C#N)c2)nc2c1c(C)nn2-c1ccccc1.
What is the InChIKey of 3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile?
The InChIKey is RVPATZOYGPNSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-15-11-20(27-14-18-8-6-7-17(12-18)13-23)24-22-21(15)16(2)25-26(22)19-9-4-3-5-10-19/h3-12H,14H2,1-2H3.
What are the key properties of 3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile?
3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile has a molecular weight of 354.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 50793788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).