3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile

C22H17N5O — CID 159031820

IUPAC3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile
SMILESN#Cc1cccc(CC(=O)Cc2ccc(-c3cccn4nnc(N)c34)cc2)c1
InChIInChI=1S/C22H17N5O/c23-14-17-4-1-3-16(11-17)13-19(28)12-15-6-8-18(9-7-15)20-5-2-10-27-21(20)22(24)25-26-27/h1-11H,12-13,24H2
InChIKeyAUMKXOUOPJITEC-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.20
Rot. Bonds5

About 3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile

3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile (PubChem CID 159031820) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile.

Molecular Properties

Compound Name3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile
PubChem CID159031820
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile
SMILESN#Cc1cccc(CC(=O)Cc2ccc(-c3cccn4nnc(N)c34)cc2)c1
InChIInChI=1S/C22H17N5O/c23-14-17-4-1-3-16(11-17)13-19(28)12-15-6-8-18(9-7-15)20-5-2-10-27-21(20)22(24)25-26-27/h1-11H,12-13,24H2
InChIKeyAUMKXOUOPJITEC-UHFFFAOYSA-N
XLogP3.20
TPSA97.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile 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-[3-[4-(2-methyl-4-pyridinyl)phenyl]-2-oxopropyl]benzonitrile
CID 58267146
(3-cyanophenyl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 7766167
(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate
CID 62499042
(3-cyanophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763475
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate
CID 166304182
1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(2-methoxyphenyl)propan-2-one;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)propan-2-one;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one
CID 161499413
2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
CID 16782050
3-(2-hydroxyethyl)benzonitrile
CID 14926727
2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide
CID 72893749
3-[2-(4-hydroxyphenyl)ethyl]benzonitrile
CID 46195954
2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide
CID 61102362
3-(phosphanylmethyl)benzonitrile
CID 143041927

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile?
The IUPAC name of 3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile (CID 159031820) is 3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile.
What is the SMILES notation for 3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile?
The canonical SMILES for 3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile is N#Cc1cccc(CC(=O)Cc2ccc(-c3cccn4nnc(N)c34)cc2)c1.
What is the InChIKey of 3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile?
The InChIKey is AUMKXOUOPJITEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c23-14-17-4-1-3-16(11-17)13-19(28)12-15-6-8-18(9-7-15)20-5-2-10-27-21(20)22(24)25-26-27/h1-11H,12-13,24H2.
What are the key properties of 3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile?
3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile has a molecular weight of 367.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile is sourced from PubChem (CID 159031820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).