1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea

C15H15N5O — CID 6539538

IUPAC1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea
SMILESCCNC(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C15H15N5O/c1-2-16-15(21)18-14-12-8-11(9-17-13(12)19-20-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H3,16,17,18,19,20,21)
InChIKeyHXYFPOBULYHGFW-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.77
Rot. Bonds3

About 1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea

1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea (PubChem CID 6539538) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea
PubChem CID6539538
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea
SMILESCCNC(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C15H15N5O/c1-2-16-15(21)18-14-12-8-11(9-17-13(12)19-20-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H3,16,17,18,19,20,21)
InChIKeyHXYFPOBULYHGFW-UHFFFAOYSA-N
XLogP2.77
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea?
The IUPAC name of 1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea (CID 6539538) is 1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea is CCNC(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12.
What is the InChIKey of 1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea?
The InChIKey is HXYFPOBULYHGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-16-15(21)18-14-12-8-11(9-17-13(12)19-20-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H3,16,17,18,19,20,21).
What are the key properties of 1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea?
1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea has a molecular weight of 281.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)urea is sourced from PubChem (CID 6539538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).