methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

C19H15N5O2 — CID 82565479

IUPACmethyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1ccc(-c2ccncc2)n2nc(-c3ccc(N)cc3)nc12
InChIInChI=1S/C19H15N5O2/c1-26-19(25)15-6-7-16(12-8-10-21-11-9-12)24-18(15)22-17(23-24)13-2-4-14(20)5-3-13/h2-11H,20H2,1H3
InChIKeyAPHFKWZLWXGONJ-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.83
Rot. Bonds3

About methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 82565479) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID82565479
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Namemethyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1ccc(-c2ccncc2)n2nc(-c3ccc(N)cc3)nc12
InChIInChI=1S/C19H15N5O2/c1-26-19(25)15-6-7-16(12-8-10-21-11-9-12)24-18(15)22-17(23-24)13-2-4-14(20)5-3-13/h2-11H,20H2,1H3
InChIKeyAPHFKWZLWXGONJ-UHFFFAOYSA-N
XLogP2.83
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565525
2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565927
2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565629
methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565449
2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565620
methyl 2-(4-aminophenyl)-4-methylpyrimidine-5-carboxylate
CID 100802255
ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 1419083
2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565619
methyl 2,4-dipyridin-4-ylbenzoate
CID 46317525
7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497840
methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate
CID 116865102
2-methyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15042087

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 82565479) is methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COC(=O)c1ccc(-c2ccncc2)n2nc(-c3ccc(N)cc3)nc12.
What is the InChIKey of methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is APHFKWZLWXGONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-26-19(25)15-6-7-16(12-8-10-21-11-9-12)24-18(15)22-17(23-24)13-2-4-14(20)5-3-13/h2-11H,20H2,1H3.
What are the key properties of methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 345.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 82565479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).