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

C18H18N8O — CID 44571906

IUPAC1-ethyl-3-[5-(1-methylpyrazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cnn(C)c3)n2n1
InChIInChI=1S/C18H18N8O/c1-3-20-18(27)23-17-22-16-8-13(12-5-4-6-19-9-12)7-15(26(16)24-17)14-10-21-25(2)11-14/h4-11H,3H2,1-2H3,(H2,20,23,24,27)
InChIKeyYVNQCZCIRMOCOR-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.33
Rot. Bonds4

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

1-ethyl-3-[5-(1-methylpyrazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (PubChem CID 44571906) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-ethyl-3-[5-(1-methylpyrazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(1-methylpyrazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
PubChem CID44571906
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name1-ethyl-3-[5-(1-methylpyrazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cnn(C)c3)n2n1
InChIInChI=1S/C18H18N8O/c1-3-20-18(27)23-17-22-16-8-13(12-5-4-6-19-9-12)7-15(26(16)24-17)14-10-21-25(2)11-14/h4-11H,3H2,1-2H3,(H2,20,23,24,27)
InChIKeyYVNQCZCIRMOCOR-UHFFFAOYSA-N
XLogP2.33
TPSA102.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.33
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-(1-methylpyrazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(1-methylpyrazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (CID 44571906) is 1-ethyl-3-[5-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(1-methylpyrazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cnn(C)c3)n2n1.
What is the InChIKey of 1-ethyl-3-[5-(1-methylpyrazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The InChIKey is YVNQCZCIRMOCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c1-3-20-18(27)23-17-22-16-8-13(12-5-4-6-19-9-12)7-15(26(16)24-17)14-10-21-25(2)11-14/h4-11H,3H2,1-2H3,(H2,20,23,24,27).
What are the key properties of 1-ethyl-3-[5-(1-methylpyrazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
1-ethyl-3-[5-(1-methylpyrazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea has a molecular weight of 362.40 g/mol, XLogP of 2.33, 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-(1-methylpyrazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is sourced from PubChem (CID 44571906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).