5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C25H27FN6O — CID 143916204

IUPAC5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc(-c2cccc3nc(Nc4ccc(CNCCN5CCOCC5)cc4)nn23)cc1
InChIInChI=1S/C25H27FN6O/c26-21-8-6-20(7-9-21)23-2-1-3-24-29-25(30-32(23)24)28-22-10-4-19(5-11-22)18-27-12-13-31-14-16-33-17-15-31/h1-11,27H,12-18H2,(H,28,30)
InChIKeyJKKLEOHKHQCVBT-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.70
Rot. Bonds8

About 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 143916204) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID143916204
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc(-c2cccc3nc(Nc4ccc(CNCCN5CCOCC5)cc4)nn23)cc1
InChIInChI=1S/C25H27FN6O/c26-21-8-6-20(7-9-21)23-2-1-3-24-29-25(30-32(23)24)28-22-10-4-19(5-11-22)18-27-12-13-31-14-16-33-17-15-31/h1-11,27H,12-18H2,(H,28,30)
InChIKeyJKKLEOHKHQCVBT-UHFFFAOYSA-N
XLogP3.70
TPSA66.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 143916147
5-(4-fluorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916172
5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186476
N,N-dimethyl-4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 159881017
1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one
CID 148943934
N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 163591521
4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59186275
5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70240412
4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 59186171
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 44624635
N-(4-fluorophenyl)-5-(1H-indazol-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276650
5-(4-fluorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186193

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 143916204) is 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Fc1ccc(-c2cccc3nc(Nc4ccc(CNCCN5CCOCC5)cc4)nn23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is JKKLEOHKHQCVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c26-21-8-6-20(7-9-21)23-2-1-3-24-29-25(30-32(23)24)28-22-10-4-19(5-11-22)18-27-12-13-31-14-16-33-17-15-31/h1-11,27H,12-18H2,(H,28,30).
What are the key properties of 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 446.53 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 143916204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).