1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea

C21H19FN6O — CID 159651009

IUPAC1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea
SMILESCc1cc(F)c(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)cc2)cc1C
InChIInChI=1S/C21H19FN6O/c1-12-10-17(22)18(11-13(12)2)25-21(29)24-15-7-5-14(6-8-15)16-4-3-9-28-19(16)20(23)26-27-28/h3-11H,23H2,1-2H3,(H2,24,25,29)
InChIKeyQYKFRTWVAIUHMX-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.38
Rot. Bonds3

About 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea

1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea (PubChem CID 159651009) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea
PubChem CID159651009
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea
SMILESCc1cc(F)c(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)cc2)cc1C
InChIInChI=1S/C21H19FN6O/c1-12-10-17(22)18(11-13(12)2)25-21(29)24-15-7-5-14(6-8-15)16-4-3-9-28-19(16)20(23)26-27-28/h3-11H,23H2,1-2H3,(H2,24,25,29)
InChIKeyQYKFRTWVAIUHMX-UHFFFAOYSA-N
XLogP4.38
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 158914768
1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 86566940
1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea
CID 86567279
1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea
CID 25134849
1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 25135144
1-[4-(1-amino-3-methylimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-methylphenyl)urea
CID 25135034
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea
CID 118158372
1-[4-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 163619460
1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea
CID 25134915
1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 73295888
[6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-3-pyridinyl]boronic acid
CID 131735817
1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea
CID 11485553

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea?
The IUPAC name of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea (CID 159651009) is 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea.
What is the SMILES notation for 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea?
The canonical SMILES for 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea is Cc1cc(F)c(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)cc2)cc1C.
What is the InChIKey of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea?
The InChIKey is QYKFRTWVAIUHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-12-10-17(22)18(11-13(12)2)25-21(29)24-15-7-5-14(6-8-15)16-4-3-9-28-19(16)20(23)26-27-28/h3-11H,23H2,1-2H3,(H2,24,25,29).
What are the key properties of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea?
1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea has a molecular weight of 390.42 g/mol, XLogP of 4.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea is sourced from PubChem (CID 159651009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).