1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea

C19H27N5O5S — CID 148767032

IUPAC1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea
SMILESCOc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2cnn3c2OCCC3)c(C(C)C)n1
InChIInChI=1S/C19H27N5O5S/c1-11(2)13-9-15(28-5)21-16(12(3)4)17(13)22-19(25)23-30(26,27)14-10-20-24-7-6-8-29-18(14)24/h9-12H,6-8H2,1-5H3,(H2,22,23,25)
InChIKeyOHRAHXIOHMCFKK-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.83
Rot. Bonds6

About 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea

1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea (PubChem CID 148767032) has the molecular formula C19H27N5O5S and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea
PubChem CID148767032
Molecular FormulaC19H27N5O5S
Molecular Weight437.52 g/mol
Exact Mass437.17
IUPAC Name1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea
SMILESCOc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2cnn3c2OCCC3)c(C(C)C)n1
InChIInChI=1S/C19H27N5O5S/c1-11(2)13-9-15(28-5)21-16(12(3)4)17(13)22-19(25)23-30(26,27)14-10-20-24-7-6-8-29-18(14)24/h9-12H,6-8H2,1-5H3,(H2,22,23,25)
InChIKeyOHRAHXIOHMCFKK-UHFFFAOYSA-N
XLogP2.83
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea?
The IUPAC name of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea (CID 148767032) is 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea is COc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2cnn3c2OCCC3)c(C(C)C)n1.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea?
The InChIKey is OHRAHXIOHMCFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O5S/c1-11(2)13-9-15(28-5)21-16(12(3)4)17(13)22-19(25)23-30(26,27)14-10-20-24-7-6-8-29-18(14)24/h9-12H,6-8H2,1-5H3,(H2,22,23,25).
What are the key properties of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea?
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea has a molecular weight of 437.52 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea is sourced from PubChem (CID 148767032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).