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

C20H31FN6O5S — CID 158350030

IUPAC1-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea
SMILESCOC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(CC(C)F)c3C(C)C)cnn2C1
InChIInChI=1S/C20H31FN6O5S/c1-11(2)16-17(18(12(3)4)26(24-16)8-13(5)21)23-20(28)25-33(29,30)15-7-22-27-9-14(31-6)10-32-19(15)27/h7,11-14H,8-10H2,1-6H3,(H2,23,25,28)
InChIKeyFWZDQPZPNZWQIW-UHFFFAOYSA-N
MW486.57 g/mol
LogP2.60
Rot. Bonds8

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

1-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea (PubChem CID 158350030) has the molecular formula C20H31FN6O5S and a molecular weight of 486.57 g/mol. Its IUPAC name is 1-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea.

Molecular Properties

Compound Name1-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea
PubChem CID158350030
Molecular FormulaC20H31FN6O5S
Molecular Weight486.57 g/mol
Exact Mass486.21
IUPAC Name1-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea
SMILESCOC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(CC(C)F)c3C(C)C)cnn2C1
InChIInChI=1S/C20H31FN6O5S/c1-11(2)16-17(18(12(3)4)26(24-16)8-13(5)21)23-20(28)25-33(29,30)15-7-22-27-9-14(31-6)10-32-19(15)27/h7,11-14H,8-10H2,1-6H3,(H2,23,25,28)
InChIKeyFWZDQPZPNZWQIW-UHFFFAOYSA-N
XLogP2.60
TPSA129.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea
CID 162462345
1-[3,5-di(propan-2-yl)-1-(trifluoromethyl)pyrazol-4-yl]-3-[[(6S)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea
CID 156636430
1-[1-(2,2-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea
CID 153395839
1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea
CID 162142515
1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 161206615
1-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea
CID 167303965
1-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-3-[(6-ethoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea
CID 167303970
1-[[(6R)-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
CID 158303620
1-[amino-(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-oxo-λ6-sulfanylidene]-3-(3-methyl-2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea
CID 146618546
1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6R)-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea
CID 146225622
1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-propan-2-ylurea
CID 159716218
1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea
CID 146312299

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea?
The IUPAC name of 1-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea (CID 158350030) is 1-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea.
What is the SMILES notation for 1-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea?
The canonical SMILES for 1-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea is COC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(CC(C)F)c3C(C)C)cnn2C1.
What is the InChIKey of 1-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea?
The InChIKey is FWZDQPZPNZWQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN6O5S/c1-11(2)16-17(18(12(3)4)26(24-16)8-13(5)21)23-20(28)25-33(29,30)15-7-22-27-9-14(31-6)10-32-19(15)27/h7,11-14H,8-10H2,1-6H3,(H2,23,25,28).
What are the key properties of 1-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea?
1-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea has a molecular weight of 486.57 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea is sourced from PubChem (CID 158350030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).