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

C21H20N6O2 — CID 44571746

IUPAC1-ethyl-3-[5-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccc(OC)c3)n2n1
InChIInChI=1S/C21H20N6O2/c1-3-23-21(28)25-20-24-19-12-16(15-7-5-9-22-13-15)11-18(27(19)26-20)14-6-4-8-17(10-14)29-2/h4-13H,3H2,1-2H3,(H2,23,25,26,28)
InChIKeyAMLYAJFDCIPSIG-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.61
Rot. Bonds5

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

1-ethyl-3-[5-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (PubChem CID 44571746) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-ethyl-3-[5-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
PubChem CID44571746
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name1-ethyl-3-[5-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccc(OC)c3)n2n1
InChIInChI=1S/C21H20N6O2/c1-3-23-21(28)25-20-24-19-12-16(15-7-5-9-22-13-15)11-18(27(19)26-20)14-6-4-8-17(10-14)29-2/h4-13H,3H2,1-2H3,(H2,23,25,26,28)
InChIKeyAMLYAJFDCIPSIG-UHFFFAOYSA-N
XLogP3.61
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (CID 44571746) is 1-ethyl-3-[5-(3-methoxyphenyl)-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-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccc(OC)c3)n2n1.
What is the InChIKey of 1-ethyl-3-[5-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The InChIKey is AMLYAJFDCIPSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-3-23-21(28)25-20-24-19-12-16(15-7-5-9-22-13-15)11-18(27(19)26-20)14-6-4-8-17(10-14)29-2/h4-13H,3H2,1-2H3,(H2,23,25,26,28).
What are the key properties of 1-ethyl-3-[5-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
1-ethyl-3-[5-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea has a molecular weight of 388.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is sourced from PubChem (CID 44571746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).