1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

C17H16N8O — CID 42611261

IUPAC1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-n3cccn3)n2n1
InChIInChI=1S/C17H16N8O/c1-2-19-17(26)22-16-21-14-9-13(12-5-3-6-18-11-12)10-15(25(14)23-16)24-8-4-7-20-24/h3-11H,2H2,1H3,(H2,19,22,23,26)
InChIKeyYIBSWJPREAPIMJ-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.12
Rot. Bonds4

About 1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 42611261) has the molecular formula C17H16N8O and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
PubChem CID42611261
Molecular FormulaC17H16N8O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-n3cccn3)n2n1
InChIInChI=1S/C17H16N8O/c1-2-19-17(26)22-16-21-14-9-13(12-5-3-6-18-11-12)10-15(25(14)23-16)24-8-4-7-20-24/h3-11H,2H2,1H3,(H2,19,22,23,26)
InChIKeyYIBSWJPREAPIMJ-UHFFFAOYSA-N
XLogP2.12
TPSA102.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The IUPAC name of 1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (CID 42611261) is 1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-n3cccn3)n2n1.
What is the InChIKey of 1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The InChIKey is YIBSWJPREAPIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O/c1-2-19-17(26)22-16-21-14-9-13(12-5-3-6-18-11-12)10-15(25(14)23-16)24-8-4-7-20-24/h3-11H,2H2,1H3,(H2,19,22,23,26).
What are the key properties of 1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 348.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-pyrazol-1-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 42611261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).