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

C18H16ClN7O3 — CID 91817942

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12
InChIInChI=1S/C18H16ClN7O3/c1-10-21-17(29-25-10)11-5-6-26-15(7-11)23-24-16(26)9-20-18(27)22-13-8-12(19)3-4-14(13)28-2/h3-8H,9H2,1-2H3,(H2,20,22,27)
InChIKeyJHTFZPSZMZUNSC-UHFFFAOYSA-N
MW413.83 g/mol
LogP3.07
Rot. Bonds5

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

1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea (PubChem CID 91817942) has the molecular formula C18H16ClN7O3 and a molecular weight of 413.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea
PubChem CID91817942
Molecular FormulaC18H16ClN7O3
Molecular Weight413.83 g/mol
Exact Mass413.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12
InChIInChI=1S/C18H16ClN7O3/c1-10-21-17(29-25-10)11-5-6-26-15(7-11)23-24-16(26)9-20-18(27)22-13-8-12(19)3-4-14(13)28-2/h3-8H,9H2,1-2H3,(H2,20,22,27)
InChIKeyJHTFZPSZMZUNSC-UHFFFAOYSA-N
XLogP3.07
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-fluoro-4-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91631867
3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide
CID 91631830
3-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893208
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide
CID 91893207
2-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 91893180
2-chloro-4-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893183
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 91631873
1,3,5-trimethyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide
CID 91631843
1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide
CID 91631834
2,4-dimethyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 91631828
(3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 100741554
2-methoxy-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893287

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea (CID 91817942) is 1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea is COc1ccc(Cl)cc1NC(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea?
The InChIKey is JHTFZPSZMZUNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7O3/c1-10-21-17(29-25-10)11-5-6-26-15(7-11)23-24-16(26)9-20-18(27)22-13-8-12(19)3-4-14(13)28-2/h3-8H,9H2,1-2H3,(H2,20,22,27).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea has a molecular weight of 413.83 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea is sourced from PubChem (CID 91817942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).