1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea

C144H204F12N42O31S7 — CID 162142512

IUPAC1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea
SMILESCC(C)c1cc(C(C)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCC(N(C)C)C2.CC(C)c1nn(C(C)(F)F)c(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCC(C)(C)C2.CC(C)c1nn(CC(C)(F)F)c(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCC(C)(C)C2.CC(C)n1nc2c(c1NC(=O)NS(=O)(=O)c1cnn3c1OCC(N(C)C)C3)CCC2.COC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)cc(C(C)(F)F)nc3C(C)C)cnn2C1.COC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(C(C)(F)F)c3C(C)C)cnn2C1.COc1cc(-c2nc(C(C)(F)F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cnn3c2OCCC3)ccn1
InChIInChI=1S/C23H26F2N6O5S.C22H32F2N6O4S.C21H32F2N6O4S.C21H29F2N5O5S.C20H30F2N6O4S.C19H28F2N6O5S.C18H27N7O4S/c1-13(2)15-11-17(23(3,24)25)28-19(14-6-7-26-18(10-14)35-4)20(15)29-22(32)30-37(33,34)16-12-27-31-8-5-9-36-21(16)31;1-12(2)15-8-17(22(5,23)24)26-18(13(3)4)19(15)27-21(31)28-35(32,33)16-9-25-30-10-14(29(6)7)11-34-20(16)30;1-12(2)15-16(17(13(3)4)28(26-15)10-21(7,22)23)25-19(30)27-34(31,32)14-8-24-29-9-20(5,6)11-33-18(14)29;1-11(2)14-7-16(21(5,22)23)25-17(12(3)4)18(14)26-20(29)27-34(30,31)15-8-24-28-9-13(32-6)10-33-19(15)28;1-11(2)14-15(16(12(3)4)28(25-14)20(7,21)22)24-18(29)26-33(30,31)13-8-23-27-9-19(5,6)10-32-17(13)27;1-10(2)14-15(16(11(3)4)27(24-14)19(5,20)21)23-18(28)25-33(29,30)13-7-22-26-8-12(31-6)9-32-17(13)26;1-11(2)25-16(13-6-5-7-14(13)21-25)20-18(26)22-30(27,28)15-8-19-24-9-12(23(3)4)10-29-17(15)24/h6-7,10-13H,5,8-9H2,1-4H3,(H2,29,30,32);8-9,12-14H,10-11H2,1-7H3,(H2,27,28,31);8,12-13H,9-11H2,1-7H3,(H2,25,27,30);7-8,11-13H,9-10H2,1-6H3,(H2,26,27,29);8,11-12H,9-10H2,1-7H3,(H2,24,26,29);7,10-12H,8-9H2,1-6H3,(H2,23,25,28);8,11-12H,5-7,9-10H2,1-4H3,(H2,20,22,26)
InChIKeyZKCOLOCBUVAYNG-UHFFFAOYSA-N
MW3471.92 g/mol
LogP22.43
Rot. Bonds46

About 1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea

1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea (PubChem CID 162142512) has the molecular formula C144H204F12N42O31S7 and a molecular weight of 3471.92 g/mol. Its IUPAC name is 1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea
PubChem CID162142512
Molecular FormulaC144H204F12N42O31S7
Molecular Weight3471.92 g/mol
Exact Mass3469.35
IUPAC Name1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea
SMILESCC(C)c1cc(C(C)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCC(N(C)C)C2.CC(C)c1nn(C(C)(F)F)c(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCC(C)(C)C2.CC(C)c1nn(CC(C)(F)F)c(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCC(C)(C)C2.CC(C)n1nc2c(c1NC(=O)NS(=O)(=O)c1cnn3c1OCC(N(C)C)C3)CCC2.COC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)cc(C(C)(F)F)nc3C(C)C)cnn2C1.COC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(C(C)(F)F)c3C(C)C)cnn2C1.COc1cc(-c2nc(C(C)(F)F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cnn3c2OCCC3)ccn1
InChIInChI=1S/C23H26F2N6O5S.C22H32F2N6O4S.C21H32F2N6O4S.C21H29F2N5O5S.C20H30F2N6O4S.C19H28F2N6O5S.C18H27N7O4S/c1-13(2)15-11-17(23(3,24)25)28-19(14-6-7-26-18(10-14)35-4)20(15)29-22(32)30-37(33,34)16-12-27-31-8-5-9-36-21(16)31;1-12(2)15-8-17(22(5,23)24)26-18(13(3)4)19(15)27-21(31)28-35(32,33)16-9-25-30-10-14(29(6)7)11-34-20(16)30;1-12(2)15-16(17(13(3)4)28(26-15)10-21(7,22)23)25-19(30)27-34(31,32)14-8-24-29-9-20(5,6)11-33-18(14)29;1-11(2)14-7-16(21(5,22)23)25-17(12(3)4)18(14)26-20(29)27-34(30,31)15-8-24-28-9-13(32-6)10-33-19(15)28;1-11(2)14-15(16(12(3)4)28(25-14)20(7,21)22)24-18(29)26-33(30,31)13-8-23-27-9-19(5,6)10-32-17(13)27;1-10(2)14-15(16(11(3)4)27(24-14)19(5,20)21)23-18(28)25-33(29,30)13-7-22-26-8-12(31-6)9-32-17(13)26;1-11(2)25-16(13-6-5-7-14(13)21-25)20-18(26)22-30(27,28)15-8-19-24-9-12(23(3)4)10-29-17(15)24/h6-7,10-13H,5,8-9H2,1-4H3,(H2,29,30,32);8-9,12-14H,10-11H2,1-7H3,(H2,27,28,31);8,12-13H,9-11H2,1-7H3,(H2,25,27,30);7-8,11-13H,9-10H2,1-6H3,(H2,26,27,29);8,11-12H,9-10H2,1-7H3,(H2,24,26,29);7,10-12H,8-9H2,1-6H3,(H2,23,25,28);8,11-12H,5-7,9-10H2,1-4H3,(H2,20,22,26)
InChIKeyZKCOLOCBUVAYNG-UHFFFAOYSA-N
XLogP22.43
TPSA873.25 Ų
H-Bond Donors14
H-Bond Acceptors59
Rotatable Bonds46
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003471.92
LogP ≤ 522.43
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1059

Analyze 1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea?
The IUPAC name of 1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea (CID 162142512) is 1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea.
What is the SMILES notation for 1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea?
The canonical SMILES for 1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea is CC(C)c1cc(C(C)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCC(N(C)C)C2.CC(C)c1nn(C(C)(F)F)c(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCC(C)(C)C2.CC(C)c1nn(CC(C)(F)F)c(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCC(C)(C)C2.CC(C)n1nc2c(c1NC(=O)NS(=O)(=O)c1cnn3c1OCC(N(C)C)C3)CCC2.COC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)cc(C(C)(F)F)nc3C(C)C)cnn2C1.COC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(C(C)(F)F)c3C(C)C)cnn2C1.COc1cc(-c2nc(C(C)(F)F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cnn3c2OCCC3)ccn1.
What is the InChIKey of 1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea?
The InChIKey is ZKCOLOCBUVAYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N6O5S.C22H32F2N6O4S.C21H32F2N6O4S.C21H29F2N5O5S.C20H30F2N6O4S.C19H28F2N6O5S.C18H27N7O4S/c1-13(2)15-11-17(23(3,24)25)28-19(14-6-7-26-18(10-14)35-4)20(15)29-22(32)30-37(33,34)16-12-27-31-8-5-9-36-21(16)31;1-12(2)15-8-17(22(5,23)24)26-18(13(3)4)19(15)27-21(31)28-35(32,33)16-9-25-30-10-14(29(6)7)11-34-20(16)30;1-12(2)15-16(17(13(3)4)28(26-15)10-21(7,22)23)25-19(30)27-34(31,32)14-8-24-29-9-20(5,6)11-33-18(14)29;1-11(2)14-7-16(21(5,22)23)25-17(12(3)4)18(14)26-20(29)27-34(30,31)15-8-24-28-9-13(32-6)10-33-19(15)28;1-11(2)14-15(16(12(3)4)28(25-14)20(7,21)22)24-18(29)26-33(30,31)13-8-23-27-9-19(5,6)10-32-17(13)27;1-10(2)14-15(16(11(3)4)27(24-14)19(5,20)21)23-18(28)25-33(29,30)13-7-22-26-8-12(31-6)9-32-17(13)26;1-11(2)25-16(13-6-5-7-14(13)21-25)20-18(26)22-30(27,28)15-8-19-24-9-12(23(3)4)10-29-17(15)24/h6-7,10-13H,5,8-9H2,1-4H3,(H2,29,30,32);8-9,12-14H,10-11H2,1-7H3,(H2,27,28,31);8,12-13H,9-11H2,1-7H3,(H2,25,27,30);7-8,11-13H,9-10H2,1-6H3,(H2,26,27,29);8,11-12H,9-10H2,1-7H3,(H2,24,26,29);7,10-12H,8-9H2,1-6H3,(H2,23,25,28);8,11-12H,5-7,9-10H2,1-4H3,(H2,20,22,26).
What are the key properties of 1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea?
1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea has a molecular weight of 3471.92 g/mol, XLogP of 22.43, 46 rotatable bonds, 14 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,1-difluoroethyl)-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[1-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;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;1-[6-(1,1-difluoroethyl)-2-(2-methoxy-4-pyridinyl)-4-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-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea is sourced from PubChem (CID 162142512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).