3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile

C26H21N5O2 — CID 130409151

IUPAC3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile
SMILESC=CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3cncc(C#N)c32)C1
InChIInChI=1S/C26H21N5O2/c1-2-24(32)30-13-12-20(17-30)31-26-19(14-27)15-28-16-23(26)25(29-31)18-8-10-22(11-9-18)33-21-6-4-3-5-7-21/h2-11,15-16,20H,1,12-13,17H2
InChIKeyGSAVTAKGCWPYSG-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.72
Rot. Bonds5

About 3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile

3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile (PubChem CID 130409151) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile
PubChem CID130409151
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC Name3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile
SMILESC=CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3cncc(C#N)c32)C1
InChIInChI=1S/C26H21N5O2/c1-2-24(32)30-13-12-20(17-30)31-26-19(14-27)15-28-16-23(26)25(29-31)18-8-10-22(11-9-18)33-21-6-4-3-5-7-21/h2-11,15-16,20H,1,12-13,17H2
InChIKeyGSAVTAKGCWPYSG-UHFFFAOYSA-N
XLogP4.72
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]pyrazolo[4,5-c]pyridine-7-carbonitrile
CID 130409150
ethane;1-[3-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 158391372
1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile
CID 138538927
4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile
CID 134521449
4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide
CID 134521496
1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 130248854
5-phenoxy-2-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]benzonitrile
CID 130409122
3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137097187
1-[3-[3-[4-(2-chloro-3-fluorophenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 130247399
4-[7-cyano-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134521305
4-[4-[4-amino-7-chloro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile
CID 134521416
1-[(3R)-3-[3-[4-(3-fluorophenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130247406

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile?
The IUPAC name of 3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile (CID 130409151) is 3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile.
What is the SMILES notation for 3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile?
The canonical SMILES for 3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile is C=CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3cncc(C#N)c32)C1.
What is the InChIKey of 3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile?
The InChIKey is GSAVTAKGCWPYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-2-24(32)30-13-12-20(17-30)31-26-19(14-27)15-28-16-23(26)25(29-31)18-8-10-22(11-9-18)33-21-6-4-3-5-7-21/h2-11,15-16,20H,1,12-13,17H2.
What are the key properties of 3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile?
3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile has a molecular weight of 435.49 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile is sourced from PubChem (CID 130409151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).