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

C20H27F2N5O5S — CID 161129811

IUPAC1-[6-(1,1-difluoroethoxy)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea
SMILESCC(C)c1cc(OC(C)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2
InChIInChI=1S/C20H27F2N5O5S/c1-11(2)13-9-15(32-20(5,21)22)24-16(12(3)4)17(13)25-19(28)26-33(29,30)14-10-23-27-7-6-8-31-18(14)27/h9-12H,6-8H2,1-5H3,(H2,25,26,28)
InChIKeyZPUOZHSNVOOBRR-UHFFFAOYSA-N
MW487.53 g/mol
LogP3.81
Rot. Bonds7

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

1-[6-(1,1-difluoroethoxy)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea (PubChem CID 161129811) has the molecular formula C20H27F2N5O5S and a molecular weight of 487.53 g/mol. Its IUPAC name is 1-[6-(1,1-difluoroethoxy)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea.

Molecular Properties

Compound Name1-[6-(1,1-difluoroethoxy)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea
PubChem CID161129811
Molecular FormulaC20H27F2N5O5S
Molecular Weight487.53 g/mol
Exact Mass487.17
IUPAC Name1-[6-(1,1-difluoroethoxy)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea
SMILESCC(C)c1cc(OC(C)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2
InChIInChI=1S/C20H27F2N5O5S/c1-11(2)13-9-15(32-20(5,21)22)24-16(12(3)4)17(13)25-19(28)26-33(29,30)14-10-23-27-7-6-8-31-18(14)27/h9-12H,6-8H2,1-5H3,(H2,25,26,28)
InChIKeyZPUOZHSNVOOBRR-UHFFFAOYSA-N
XLogP3.81
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-(2-Ethoxy-6-methylpyridin-4-yl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377733
1-[[5-[(1,3-Dimethylpyrazol-4-yl)amino]-4-methyl-2-pyridinyl]methyl]-3-[2-ethoxy-6-(trifluoromethyl)-4-pyridinyl]urea
CID 164621933
US20250101019, Example 80
CID 169755710
1-[2-Cyclopropyl-6-(2,2-difluoroethoxy)pyridin-4-yl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377692
1-(2-Cyclopropyl-6-ethoxypyridin-4-yl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377723
1-[[4,5-Dimethyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]-3-[2-ethoxy-6-(trifluoromethyl)pyridin-4-yl]urea
CID 137377765
1-[[6-(1,5-Dimethylpyrazol-4-yl)-5-methylpyridazin-3-yl]methyl]-3-[2-ethoxy-6-(trifluoromethyl)pyridin-4-yl]urea
CID 137377898
1-[2-(2-Ethoxy-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 137509743
1-[2,4-di(propan-2-yl)-6-(trifluoromethyl)pyridin-3-yl]-3-[[(6S)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea
CID 146312337
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea
CID 146802208
4-Fluoro-11,11-dioxo-6-propan-2-yl-21-oxa-11lambda6-thia-8,10,15,23,27-pentazatetracyclo[20.3.1.112,15.02,7]heptacosa-1(26),2(7),3,5,12(27),13,22,24-octaen-9-one
CID 156111122
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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,1-difluoroethoxy)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea?
The IUPAC name of 1-[6-(1,1-difluoroethoxy)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea (CID 161129811) is 1-[6-(1,1-difluoroethoxy)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea.
What is the SMILES notation for 1-[6-(1,1-difluoroethoxy)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea?
The canonical SMILES for 1-[6-(1,1-difluoroethoxy)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea is CC(C)c1cc(OC(C)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.
What is the InChIKey of 1-[6-(1,1-difluoroethoxy)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea?
The InChIKey is ZPUOZHSNVOOBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5O5S/c1-11(2)13-9-15(32-20(5,21)22)24-16(12(3)4)17(13)25-19(28)26-33(29,30)14-10-23-27-7-6-8-31-18(14)27/h9-12H,6-8H2,1-5H3,(H2,25,26,28).
What are the key properties of 1-[6-(1,1-difluoroethoxy)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea?
1-[6-(1,1-difluoroethoxy)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea has a molecular weight of 487.53 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,1-difluoroethoxy)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea is sourced from PubChem (CID 161129811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).