1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea

C20H13FN6O — CID 122540282

IUPAC1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea
SMILESN#Cc1ccc(-c2cc(NC(=O)Nc3ccccc3)cc3ncnn23)cc1F
InChIInChI=1S/C20H13FN6O/c21-17-8-13(6-7-14(17)11-22)18-9-16(10-19-23-12-24-27(18)19)26-20(28)25-15-4-2-1-3-5-15/h1-10,12H,(H2,25,26,28)
InChIKeyBHBTZAUVKXSOJJ-UHFFFAOYSA-N
MW372.36 g/mol
LogP4.05
Rot. Bonds3

About 1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea

1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea (PubChem CID 122540282) has the molecular formula C20H13FN6O and a molecular weight of 372.36 g/mol. Its IUPAC name is 1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea
PubChem CID122540282
Molecular FormulaC20H13FN6O
Molecular Weight372.36 g/mol
Exact Mass372.11
IUPAC Name1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea
SMILESN#Cc1ccc(-c2cc(NC(=O)Nc3ccccc3)cc3ncnn23)cc1F
InChIInChI=1S/C20H13FN6O/c21-17-8-13(6-7-14(17)11-22)18-9-16(10-19-23-12-24-27(18)19)26-20(28)25-15-4-2-1-3-5-15/h1-10,12H,(H2,25,26,28)
InChIKeyBHBTZAUVKXSOJJ-UHFFFAOYSA-N
XLogP4.05
TPSA95.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea with MolForge

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Related Compounds

N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide
CID 122540403
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide
CID 122540738
2-fluoro-4-[7-[(3-phenyloxetan-3-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
CID 122540420
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide
CID 122540762
oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
CID 122540679
N-[5-(4-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide
CID 122540630
3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile
CID 122540372
1-(3-cyano-2-pyridinyl)-3-phenylurea
CID 110472230
4-(2-benzoylphenyl)-2-fluorobenzonitrile
CID 132599326
tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
CID 140850306
1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea
CID 154725535
1-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-phenylurea
CID 17067816

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea?
The IUPAC name of 1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea (CID 122540282) is 1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea.
What is the SMILES notation for 1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea?
The canonical SMILES for 1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea is N#Cc1ccc(-c2cc(NC(=O)Nc3ccccc3)cc3ncnn23)cc1F.
What is the InChIKey of 1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea?
The InChIKey is BHBTZAUVKXSOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6O/c21-17-8-13(6-7-14(17)11-22)18-9-16(10-19-23-12-24-27(18)19)26-20(28)25-15-4-2-1-3-5-15/h1-10,12H,(H2,25,26,28).
What are the key properties of 1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea?
1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea has a molecular weight of 372.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea is sourced from PubChem (CID 122540282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).