2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide

C19H19N7O2 — CID 176939316

IUPAC2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(-c3ccn4nc(N)nc4c3)cn2)cc1
InChIInChI=1S/C19H19N7O2/c1-2-28-16-5-3-15(4-6-16)22-18(27)12-25-11-14(10-21-25)13-7-8-26-17(9-13)23-19(20)24-26/h3-11H,2,12H2,1H3,(H2,20,24)(H,22,27)
InChIKeyHOEXDFMGMOWUNL-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.21
Rot. Bonds6

About 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide

2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 176939316) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID176939316
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(-c3ccn4nc(N)nc4c3)cn2)cc1
InChIInChI=1S/C19H19N7O2/c1-2-28-16-5-3-15(4-6-16)22-18(27)12-25-11-14(10-21-25)13-7-8-26-17(9-13)23-19(20)24-26/h3-11H,2,12H2,1H3,(H2,20,24)(H,22,27)
InChIKeyHOEXDFMGMOWUNL-UHFFFAOYSA-N
XLogP2.21
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide (CID 176939316) is 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cn2cc(-c3ccn4nc(N)nc4c3)cn2)cc1.
What is the InChIKey of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is HOEXDFMGMOWUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-2-28-16-5-3-15(4-6-16)22-18(27)12-25-11-14(10-21-25)13-7-8-26-17(9-13)23-19(20)24-26/h3-11H,2,12H2,1H3,(H2,20,24)(H,22,27).
What are the key properties of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide?
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 377.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 176939316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).