1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

C16H16FN7O — CID 86804711

IUPAC1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESO=C(Nc1cc(F)ccc1-n1cccn1)NC1CCc2ncnn2C1
InChIInChI=1S/C16H16FN7O/c17-11-2-4-14(23-7-1-6-19-23)13(8-11)22-16(25)21-12-3-5-15-18-10-20-24(15)9-12/h1-2,4,6-8,10,12H,3,5,9H2,(H2,21,22,25)
InChIKeyWCHRXDFBHLFWPC-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.74
Rot. Bonds3

About 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 86804711) has the molecular formula C16H16FN7O and a molecular weight of 341.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID86804711
Molecular FormulaC16H16FN7O
Molecular Weight341.35 g/mol
Exact Mass341.14
IUPAC Name1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESO=C(Nc1cc(F)ccc1-n1cccn1)NC1CCc2ncnn2C1
InChIInChI=1S/C16H16FN7O/c17-11-2-4-14(23-7-1-6-19-23)13(8-11)22-16(25)21-12-3-5-15-18-10-20-24(15)9-12/h1-2,4,6-8,10,12H,3,5,9H2,(H2,21,22,25)
InChIKeyWCHRXDFBHLFWPC-UHFFFAOYSA-N
XLogP1.74
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 86804711) is 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is O=C(Nc1cc(F)ccc1-n1cccn1)NC1CCc2ncnn2C1.
What is the InChIKey of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is WCHRXDFBHLFWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN7O/c17-11-2-4-14(23-7-1-6-19-23)13(8-11)22-16(25)21-12-3-5-15-18-10-20-24(15)9-12/h1-2,4,6-8,10,12H,3,5,9H2,(H2,21,22,25).
What are the key properties of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 341.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 86804711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).