4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide

C23H22N6O2 — CID 24947567

IUPAC4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)cc1
InChIInChI=1S/C23H22N6O2/c24-22(30)17-3-1-16(2-4-17)21-10-9-20(23-25-15-26-29(21)23)27-18-5-7-19(8-6-18)28-11-13-31-14-12-28/h1-10,15,27H,11-14H2,(H2,24,30)
InChIKeyPNXXQMLCNIGHIO-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.08
Rot. Bonds5

About 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide

4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide (PubChem CID 24947567) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide
PubChem CID24947567
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)cc1
InChIInChI=1S/C23H22N6O2/c24-22(30)17-3-1-16(2-4-17)21-10-9-20(23-25-15-26-29(21)23)27-18-5-7-19(8-6-18)28-11-13-31-14-12-28/h1-10,15,27H,11-14H2,(H2,24,30)
InChIKeyPNXXQMLCNIGHIO-UHFFFAOYSA-N
XLogP3.08
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide
CID 158630009
N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 135948865
4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide
CID 59023071
4-[6-(4-morpholin-4-ylanilino)-7H-purin-2-yl]benzamide
CID 117080367
5-[8-(3-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-3-carboxamide
CID 91327412
3-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1-benzothiophene-7-carboxamide
CID 24890644
4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide
CID 143585647
1-[5-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophen-2-yl]ethanone
CID 24888258
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-[2-(dimethylamino)ethyl]-4-[2-(4-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide
CID 66711045
N-(2-methylsulfonylethyl)-4-[2-(4-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide
CID 66710898
3-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1-benzothiophene-7-carboxylic acid
CID 90807881

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide?
The IUPAC name of 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide (CID 24947567) is 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide.
What is the SMILES notation for 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide?
The canonical SMILES for 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide is NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)cc1.
What is the InChIKey of 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide?
The InChIKey is PNXXQMLCNIGHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c24-22(30)17-3-1-16(2-4-17)21-10-9-20(23-25-15-26-29(21)23)27-18-5-7-19(8-6-18)28-11-13-31-14-12-28/h1-10,15,27H,11-14H2,(H2,24,30).
What are the key properties of 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide?
4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide has a molecular weight of 414.47 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide is sourced from PubChem (CID 24947567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).