6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine

C39H44N10O7S2 — CID 159529965

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine
SMILESNS(=O)(=O)c1cnn2c1OCCC2.Nc1c2c(nc3ccccc13)CCCC2.O=C(Nc1c2c(nc3ccccc13)CCCC2)NS(=O)(=O)c1cnn2c1OCCC2
InChIInChI=1S/C20H21N5O4S.C13H14N2.C6H9N3O3S/c26-20(24-30(27,28)17-12-21-25-10-5-11-29-19(17)25)23-18-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)18;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;7-13(10,11)5-4-8-9-2-1-3-12-6(5)9/h1,3,6,8,12H,2,4-5,7,9-11H2,(H2,22,23,24,26);1,3,5,7H,2,4,6,8H2,(H2,14,15);4H,1-3H2,(H2,7,10,11)
InChIKeyMCWGEZRQYZFROH-UHFFFAOYSA-N
MW828.98 g/mol
LogP4.61
Rot. Bonds4

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 159529965) has the molecular formula C39H44N10O7S2 and a molecular weight of 828.98 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine
PubChem CID159529965
Molecular FormulaC39H44N10O7S2
Molecular Weight828.98 g/mol
Exact Mass828.28
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine
SMILESNS(=O)(=O)c1cnn2c1OCCC2.Nc1c2c(nc3ccccc13)CCCC2.O=C(Nc1c2c(nc3ccccc13)CCCC2)NS(=O)(=O)c1cnn2c1OCCC2
InChIInChI=1S/C20H21N5O4S.C13H14N2.C6H9N3O3S/c26-20(24-30(27,28)17-12-21-25-10-5-11-29-19(17)25)23-18-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)18;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;7-13(10,11)5-4-8-9-2-1-3-12-6(5)9/h1,3,6,8,12H,2,4-5,7,9-11H2,(H2,22,23,24,26);1,3,5,7H,2,4,6,8H2,(H2,14,15);4H,1-3H2,(H2,7,10,11)
InChIKeyMCWGEZRQYZFROH-UHFFFAOYSA-N
XLogP4.61
TPSA241.33 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.98
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine (CID 159529965) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine is NS(=O)(=O)c1cnn2c1OCCC2.Nc1c2c(nc3ccccc13)CCCC2.O=C(Nc1c2c(nc3ccccc13)CCCC2)NS(=O)(=O)c1cnn2c1OCCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is MCWGEZRQYZFROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S.C13H14N2.C6H9N3O3S/c26-20(24-30(27,28)17-12-21-25-10-5-11-29-19(17)25)23-18-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)18;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;7-13(10,11)5-4-8-9-2-1-3-12-6(5)9/h1,3,6,8,12H,2,4-5,7,9-11H2,(H2,22,23,24,26);1,3,5,7H,2,4,6,8H2,(H2,14,15);4H,1-3H2,(H2,7,10,11).
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 828.98 g/mol, XLogP of 4.61, 4 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,4-tetrahydroacridin-9-yl)urea;1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 159529965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).