1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea

C15H13ClN4O — CID 90538547

IUPAC1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cnn2ccccc12)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4O/c16-12-4-6-13(7-5-12)19-15(21)17-9-11-10-18-20-8-2-1-3-14(11)20/h1-8,10H,9H2,(H2,17,19,21)
InChIKeyJNGDUSLXUQINKS-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.31
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea

1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea (PubChem CID 90538547) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea
PubChem CID90538547
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cnn2ccccc12)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4O/c16-12-4-6-13(7-5-12)19-15(21)17-9-11-10-18-20-8-2-1-3-14(11)20/h1-8,10H,9H2,(H2,17,19,21)
InChIKeyJNGDUSLXUQINKS-UHFFFAOYSA-N
XLogP3.31
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea (CID 90538547) is 1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea is O=C(NCc1cnn2ccccc12)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea?
The InChIKey is JNGDUSLXUQINKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-12-4-6-13(7-5-12)19-15(21)17-9-11-10-18-20-8-2-1-3-14(11)20/h1-8,10H,9H2,(H2,17,19,21).
What are the key properties of 1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea?
1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea has a molecular weight of 300.75 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea is sourced from PubChem (CID 90538547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).