2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(3-cyanophenyl)acetamide

C18H14N8O — CID 176939231

IUPAC2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2cc(-c3ccn4nc(N)nc4c3)cn2)c1
InChIInChI=1S/C18H14N8O/c19-8-12-2-1-3-15(6-12)22-17(27)11-25-10-14(9-21-25)13-4-5-26-16(7-13)23-18(20)24-26/h1-7,9-10H,11H2,(H2,20,24)(H,22,27)
InChIKeyUIIQTDSYTRHCAQ-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.69
Rot. Bonds4

About 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(3-cyanophenyl)acetamide

2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(3-cyanophenyl)acetamide (PubChem CID 176939231) has the molecular formula C18H14N8O and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(3-cyanophenyl)acetamide
PubChem CID176939231
Molecular FormulaC18H14N8O
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2cc(-c3ccn4nc(N)nc4c3)cn2)c1
InChIInChI=1S/C18H14N8O/c19-8-12-2-1-3-15(6-12)22-17(27)11-25-10-14(9-21-25)13-4-5-26-16(7-13)23-18(20)24-26/h1-7,9-10H,11H2,(H2,20,24)(H,22,27)
InChIKeyUIIQTDSYTRHCAQ-UHFFFAOYSA-N
XLogP1.69
TPSA126.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 176939316
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 176939220
N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide
CID 176939179
N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9245501
N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650857
2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide
CID 61102362
2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
CID 16782050
N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61224567
N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63768495
1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide
CID 26245593
2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide
CID 50988853
2-(4-aminopyrazol-1-yl)-N-naphthalen-2-ylacetamide
CID 61118519

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-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(3-cyanophenyl)acetamide (CID 176939231) is 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(3-cyanophenyl)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-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)Cn2cc(-c3ccn4nc(N)nc4c3)cn2)c1.
What is the InChIKey of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(3-cyanophenyl)acetamide?
The InChIKey is UIIQTDSYTRHCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8O/c19-8-12-2-1-3-15(6-12)22-17(27)11-25-10-14(9-21-25)13-4-5-26-16(7-13)23-18(20)24-26/h1-7,9-10H,11H2,(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-(3-cyanophenyl)acetamide?
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(3-cyanophenyl)acetamide has a molecular weight of 358.37 g/mol, XLogP of 1.69, 4 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-(3-cyanophenyl)acetamide is sourced from PubChem (CID 176939231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).