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

C19H17N7O — CID 44571860

IUPAC1-ethyl-3-(5-pyridin-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3ccccn3)n2n1
InChIInChI=1S/C19H17N7O/c1-2-21-19(27)24-18-23-17-11-14(13-6-5-8-20-12-13)10-16(26(17)25-18)15-7-3-4-9-22-15/h3-12H,2H2,1H3,(H2,21,24,25,27)
InChIKeyZGJFZRFORJVGKG-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.99
Rot. Bonds4

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

1-ethyl-3-(5-pyridin-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 44571860) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-ethyl-3-(5-pyridin-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-pyridin-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
PubChem CID44571860
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name1-ethyl-3-(5-pyridin-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3ccccn3)n2n1
InChIInChI=1S/C19H17N7O/c1-2-21-19(27)24-18-23-17-11-14(13-6-5-8-20-12-13)10-16(26(17)25-18)15-7-3-4-9-22-15/h3-12H,2H2,1H3,(H2,21,24,25,27)
InChIKeyZGJFZRFORJVGKG-UHFFFAOYSA-N
XLogP2.99
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-pyridin-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The IUPAC name of 1-ethyl-3-(5-pyridin-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (CID 44571860) is 1-ethyl-3-(5-pyridin-2-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-pyridin-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-pyridin-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3ccccn3)n2n1.
What is the InChIKey of 1-ethyl-3-(5-pyridin-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The InChIKey is ZGJFZRFORJVGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-2-21-19(27)24-18-23-17-11-14(13-6-5-8-20-12-13)10-16(26(17)25-18)15-7-3-4-9-22-15/h3-12H,2H2,1H3,(H2,21,24,25,27).
What are the key properties of 1-ethyl-3-(5-pyridin-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
1-ethyl-3-(5-pyridin-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 359.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-pyridin-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 44571860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).