About 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-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-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]urea
1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-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-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]urea (PubChem CID 161464673) has the molecular formula C109H160F7N33O25S6
and a molecular weight of 2658.07 g/mol. Its IUPAC name is 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-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-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]urea.
Frequently Asked Questions
What is the IUPAC name of 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-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-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]urea?
The IUPAC name of 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-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-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]urea (CID 161464673) is 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-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-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-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-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-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-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]urea is CC(C)NC(=O)NS(=O)(=O)c1cnn2c1OCC(CN)C2.CC(C)c1cc(C(C)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.CC(C)c1ncc2c(c1NC(=O)NS(=O)(=O)c1cnn3c1OCCC3)CCC2.CC(C)c1nn(CC(C)(F)F)c(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.CC(F)Cn1nc(C(C)C)c(NC(=O)NS(=O)(=O)c2cnn3c2OCC(C)(C)C3)c1C(C)C.COC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(CC(C)(F)F)c3C(C)C)cnn2C1.
What is the InChIKey of 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-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-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]urea?
The InChIKey is WCGPBGSGMCMTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN6O4S.C20H30F2N6O5S.C20H27F2N5O4S.C19H28F2N6O4S.C18H23N5O4S.C11H19N5O4S/c1-12(2)16-17(18(13(3)4)27(25-16)9-14(5)22)24-20(29)26-33(30,31)15-8-23-28-10-21(6,7)11-32-19(15)28;1-11(2)15-16(17(12(3)4)28(25-15)10-20(5,21)22)24-19(29)26-34(30,31)14-7-23-27-8-13(32-6)9-33-18(14)27;1-11(2)13-9-15(20(5,21)22)24-16(12(3)4)17(13)25-19(28)26-32(29,30)14-10-23-27-7-6-8-31-18(14)27;1-11(2)14-15(16(12(3)4)27(24-14)10-19(5,20)21)23-18(28)25-32(29,30)13-9-22-26-7-6-8-31-17(13)26;1-11(2)15-16(13-6-3-5-12(13)9-19-15)21-18(24)22-28(25,26)14-10-20-23-7-4-8-27-17(14)23;1-7(2)14-11(17)15-21(18,19)9-4-13-16-5-8(3-12)6-20-10(9)16/h8,12-14H,9-11H2,1-7H3,(H2,24,26,29);7,11-13H,8-10H2,1-6H3,(H2,24,26,29);9-12H,6-8H2,1-5H3,(H2,25,26,28);9,11-12H,6-8,10H2,1-5H3,(H2,23,25,28);9-11H,3-8H2,1-2H3,(H2,21,22,24);4,7-8H,3,5-6,12H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-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-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]urea?
1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-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-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]urea has a molecular weight of 2658.07 g/mol, XLogP of 15.15, 36 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[1-(2,2-difluoropropyl)-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-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-(2-fluoropropyl)-3,5-di(propan-2-yl)pyrazol-4-yl]urea is sourced from PubChem (CID 161464673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).