1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea

C20H24N6O4S — CID 167303952

IUPAC1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea
SMILESCC1CCc2c1nc1c(c2NC(=O)NS(=O)(=O)c2cc3n(n2)CCN(C)C3=O)CCC1
InChIInChI=1S/C20H24N6O4S/c1-11-6-7-13-17(11)21-14-5-3-4-12(14)18(13)22-20(28)24-31(29,30)16-10-15-19(27)25(2)8-9-26(15)23-16/h10-11H,3-9H2,1-2H3,(H2,21,22,24,28)
InChIKeyWQXDWIQVYOBHFY-UHFFFAOYSA-N
MW444.52 g/mol
LogP1.41
Rot. Bonds3

About 1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea

1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea (PubChem CID 167303952) has the molecular formula C20H24N6O4S and a molecular weight of 444.52 g/mol. Its IUPAC name is 1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea.

Molecular Properties

Compound Name1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea
PubChem CID167303952
Molecular FormulaC20H24N6O4S
Molecular Weight444.52 g/mol
Exact Mass444.16
IUPAC Name1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea
SMILESCC1CCc2c1nc1c(c2NC(=O)NS(=O)(=O)c2cc3n(n2)CCN(C)C3=O)CCC1
InChIInChI=1S/C20H24N6O4S/c1-11-6-7-13-17(11)21-14-5-3-4-12(14)18(13)22-20(28)24-31(29,30)16-10-15-19(27)25(2)8-9-26(15)23-16/h10-11H,3-9H2,1-2H3,(H2,21,22,24,28)
InChIKeyWQXDWIQVYOBHFY-UHFFFAOYSA-N
XLogP1.41
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea?
The IUPAC name of 1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea (CID 167303952) is 1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea.
What is the SMILES notation for 1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea?
The canonical SMILES for 1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea is CC1CCc2c1nc1c(c2NC(=O)NS(=O)(=O)c2cc3n(n2)CCN(C)C3=O)CCC1.
What is the InChIKey of 1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea?
The InChIKey is WQXDWIQVYOBHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4S/c1-11-6-7-13-17(11)21-14-5-3-4-12(14)18(13)22-20(28)24-31(29,30)16-10-15-19(27)25(2)8-9-26(15)23-16/h10-11H,3-9H2,1-2H3,(H2,21,22,24,28).
What are the key properties of 1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea?
1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea has a molecular weight of 444.52 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea is sourced from PubChem (CID 167303952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).