N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C32H29N11O — CID 158996401

About N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 158996401) has the molecular formula C32H29N11O and a molecular weight of 583.66 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 158996401
• Molecular Formula: C32H29N11O
• Molecular Weight: 583.66 g/mol
• Exact Mass: 583.26
• IUPAC Name: N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: c1cc(-c2ccncc2)c2nc(Nc3ccc(N4CCOCC4)cc3)nn2c1.c1ccn2nc(Nc3ccncc3)nc2c1
• InChI: InChI=1S/C21H20N6O.C11H9N5/c1-2-19(16-7-9-22-10-8-16)20-24-21(25-27(20)11-1)23-17-3-5-18(6-4-17)26-12-14-28-15-13-26;1-2-8-16-10(3-1)14-11(15-16)13-9-4-6-12-7-5-9/h1-11H,12-15H2,(H,23,25);1-8H,(H,12,13,15)
• InChIKey: JQUDZGRGEVQGHK-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 122.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	583.66
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 158996401) is N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is c1cc(-c2ccncc2)c2nc(Nc3ccc(N4CCOCC4)cc3)nn2c1.c1ccn2nc(Nc3ccncc3)nc2c1.

What is the InChIKey of N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is JQUDZGRGEVQGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O.C11H9N5/c1-2-19(16-7-9-22-10-8-16)20-24-21(25-27(20)11-1)23-17-3-5-18(6-4-17)26-12-14-28-15-13-26;1-2-8-16-10(3-1)14-11(15-16)13-9-4-6-12-7-5-9/h1-11H,12-15H2,(H,23,25);1-8H,(H,12,13,15).

What are the key properties of N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 583.66 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 158996401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).