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

C19H24F3N5O5S — CID 156636386

IUPAC1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-3-pyridinyl]urea
SMILESCC(C)c1cc(OC(F)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2
InChIInChI=1S/C19H24F3N5O5S/c1-10(2)12-8-14(32-19(20,21)22)24-15(11(3)4)16(12)25-18(28)26-33(29,30)13-9-23-27-6-5-7-31-17(13)27/h8-11H,5-7H2,1-4H3,(H2,25,26,28)
InChIKeyJLNRDTAVGOPGHT-UHFFFAOYSA-N
MW491.49 g/mol
LogP3.72
Rot. Bonds6

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

1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-3-pyridinyl]urea (PubChem CID 156636386) has the molecular formula C19H24F3N5O5S and a molecular weight of 491.49 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-3-pyridinyl]urea
PubChem CID156636386
Molecular FormulaC19H24F3N5O5S
Molecular Weight491.49 g/mol
Exact Mass491.15
IUPAC Name1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-3-pyridinyl]urea
SMILESCC(C)c1cc(OC(F)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2
InChIInChI=1S/C19H24F3N5O5S/c1-10(2)12-8-14(32-19(20,21)22)24-15(11(3)4)16(12)25-18(28)26-33(29,30)13-9-23-27-6-5-7-31-17(13)27/h8-11H,5-7H2,1-4H3,(H2,25,26,28)
InChIKeyJLNRDTAVGOPGHT-UHFFFAOYSA-N
XLogP3.72
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-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-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-3-pyridinyl]urea?
The IUPAC name of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-3-pyridinyl]urea (CID 156636386) is 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-3-pyridinyl]urea is CC(C)c1cc(OC(F)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-3-pyridinyl]urea?
The InChIKey is JLNRDTAVGOPGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O5S/c1-10(2)12-8-14(32-19(20,21)22)24-15(11(3)4)16(12)25-18(28)26-33(29,30)13-9-23-27-6-5-7-31-17(13)27/h8-11H,5-7H2,1-4H3,(H2,25,26,28).
What are the key properties of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-3-pyridinyl]urea?
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-3-pyridinyl]urea has a molecular weight of 491.49 g/mol, XLogP of 3.72, 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-[2,4-di(propan-2-yl)-6-(trifluoromethoxy)-3-pyridinyl]urea is sourced from PubChem (CID 156636386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).