1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea

C20H14N6O2 — CID 166372903

IUPAC1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)Nc1cn[nH]c1-c1cnccn1
InChIInChI=1S/C20H14N6O2/c27-20(25-16-11-23-26-19(16)15-10-21-7-8-22-15)24-12-5-6-14-13-3-1-2-4-17(13)28-18(14)9-12/h1-11H,(H,23,26)(H2,24,25,27)
InChIKeyYJKPUDLMJVEBCQ-UHFFFAOYSA-N
MW370.37 g/mol
LogP4.41
Rot. Bonds3

About 1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea

1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea (PubChem CID 166372903) has the molecular formula C20H14N6O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea
PubChem CID166372903
Molecular FormulaC20H14N6O2
Molecular Weight370.37 g/mol
Exact Mass370.12
IUPAC Name1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)Nc1cn[nH]c1-c1cnccn1
InChIInChI=1S/C20H14N6O2/c27-20(25-16-11-23-26-19(16)15-10-21-7-8-22-15)24-12-5-6-14-13-3-1-2-4-17(13)28-18(14)9-12/h1-11H,(H,23,26)(H2,24,25,27)
InChIKeyYJKPUDLMJVEBCQ-UHFFFAOYSA-N
XLogP4.41
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-(pyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 86728689
N-Dibenzofuran-3-yl-nicotinamide
CID 644729
N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
CID 6905845
7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide
CID 155565549
US10428044, Example 26
CID 118607204
1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide
CID 130338801
3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60053849
3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
CID 68785857
1-[3-(1,2-benzoxazol-5-yl)-1-propan-2-ylpyrazol-4-yl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 69294325
1-[3-(1,2-benzoxazol-5-yl)-1-tert-butylpyrazol-4-yl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 69294493
N-dibenzofuran-3-yl-5-fluoro-4-imidazol-1-ylpyrimidin-2-amine
CID 86300823
3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91456024

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea (CID 166372903) is 1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea is O=C(Nc1ccc2c(c1)oc1ccccc12)Nc1cn[nH]c1-c1cnccn1.
What is the InChIKey of 1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea?
The InChIKey is YJKPUDLMJVEBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O2/c27-20(25-16-11-23-26-19(16)15-10-21-7-8-22-15)24-12-5-6-14-13-3-1-2-4-17(13)28-18(14)9-12/h1-11H,(H,23,26)(H2,24,25,27).
What are the key properties of 1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea?
1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea has a molecular weight of 370.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 166372903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).