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

C140H203F9N42O30S7 — CID 161129809

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;1-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea
SMILESCC(C)c1cc(OC(C)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.CC(C)c1nn(C(C)(F)F)c(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.CC(C)c1nn(C)c(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCC(C)(C)C2.CCC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(C)c3C(C)C)cnn2C1.CCC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(CC(C)F)c3C(C)C)cnn2C1.CNC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(CC(C)(F)F)c3C(C)C)cnn2C1.COc1cc(-c2cc(C(C)(F)F)nc(C(C)C)c2NC(=O)NS(=O)(=O)c2cnn3c2OCCC3)ccn1
InChIInChI=1S/C23H26F2N6O5S.C21H33FN6O4S.C20H31F2N7O4S.C20H27F2N5O5S.2C19H30N6O4S.C18H26F2N6O4S/c1-13(2)19-20(15(11-17(28-19)23(3,24)25)14-6-7-26-18(10-14)35-4)29-22(32)30-37(33,34)16-12-27-31-8-5-9-36-21(16)31;1-7-15-10-28-20(32-11-15)16(8-23-28)33(30,31)26-21(29)24-18-17(12(2)3)25-27(9-14(6)22)19(18)13(4)5;1-11(2)15-16(17(12(3)4)29(26-15)10-20(5,21)22)25-19(30)27-34(31,32)14-7-24-28-8-13(23-6)9-33-18(14)28;1-11(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;1-11(2)14-15(16(12(3)4)24(7)22-14)21-18(26)23-30(27,28)13-8-20-25-9-19(5,6)10-29-17(13)25;1-7-13-9-25-18(29-10-13)14(8-20-25)30(27,28)23-19(26)21-16-15(11(2)3)22-24(6)17(16)12(4)5;1-10(2)13-14(15(11(3)4)26(23-13)18(5,19)20)22-17(27)24-31(28,29)12-9-21-25-7-6-8-30-16(12)25/h6-7,10-13H,5,8-9H2,1-4H3,(H2,29,30,32);8,12-15H,7,9-11H2,1-6H3,(H2,24,26,29);7,11-13,23H,8-10H2,1-6H3,(H2,25,27,30);9-12H,6-8H2,1-5H3,(H2,25,26,28);8,11-12H,9-10H2,1-7H3,(H2,21,23,26);8,11-13H,7,9-10H2,1-6H3,(H2,21,23,26);9-11H,6-8H2,1-5H3,(H2,22,24,27)
InChIKeyUMAOBCCDHXMMPE-UHFFFAOYSA-N
MW3349.88 g/mol
LogP22.55
Rot. Bonds47

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-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]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;1-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea (PubChem CID 161129809) has the molecular formula C140H203F9N42O30S7 and a molecular weight of 3349.88 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;1-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]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;1-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea
PubChem CID161129809
Molecular FormulaC140H203F9N42O30S7
Molecular Weight3349.88 g/mol
Exact Mass3347.36
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;1-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea
SMILESCC(C)c1cc(OC(C)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.CC(C)c1nn(C(C)(F)F)c(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.CC(C)c1nn(C)c(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCC(C)(C)C2.CCC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(C)c3C(C)C)cnn2C1.CCC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(CC(C)F)c3C(C)C)cnn2C1.CNC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(CC(C)(F)F)c3C(C)C)cnn2C1.COc1cc(-c2cc(C(C)(F)F)nc(C(C)C)c2NC(=O)NS(=O)(=O)c2cnn3c2OCCC3)ccn1
InChIInChI=1S/C23H26F2N6O5S.C21H33FN6O4S.C20H31F2N7O4S.C20H27F2N5O5S.2C19H30N6O4S.C18H26F2N6O4S/c1-13(2)19-20(15(11-17(28-19)23(3,24)25)14-6-7-26-18(10-14)35-4)29-22(32)30-37(33,34)16-12-27-31-8-5-9-36-21(16)31;1-7-15-10-28-20(32-11-15)16(8-23-28)33(30,31)26-21(29)24-18-17(12(2)3)25-27(9-14(6)22)19(18)13(4)5;1-11(2)15-16(17(12(3)4)29(26-15)10-20(5,21)22)25-19(30)27-34(31,32)14-7-24-28-8-13(23-6)9-33-18(14)28;1-11(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;1-11(2)14-15(16(12(3)4)24(7)22-14)21-18(26)23-30(27,28)13-8-20-25-9-19(5,6)10-29-17(13)25;1-7-13-9-25-18(29-10-13)14(8-20-25)30(27,28)23-19(26)21-16-15(11(2)3)22-24(6)17(16)12(4)5;1-10(2)13-14(15(11(3)4)26(23-13)18(5,19)20)22-17(27)24-31(28,29)12-9-21-25-7-6-8-30-16(12)25/h6-7,10-13H,5,8-9H2,1-4H3,(H2,29,30,32);8,12-15H,7,9-11H2,1-6H3,(H2,24,26,29);7,11-13,23H,8-10H2,1-6H3,(H2,25,27,30);9-12H,6-8H2,1-5H3,(H2,25,26,28);8,11-12H,9-10H2,1-7H3,(H2,21,23,26);8,11-13H,7,9-10H2,1-6H3,(H2,21,23,26);9-11H,6-8H2,1-5H3,(H2,22,24,27)
InChIKeyUMAOBCCDHXMMPE-UHFFFAOYSA-N
XLogP22.55
TPSA874.50 Ų
H-Bond Donors15
H-Bond Acceptors58
Rotatable Bonds47
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003349.88
LogP ≤ 522.55
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1058

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

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Launch Full Analysis

Related Compounds

1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-(2-methoxy-4-pyridinyl)-2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]urea
CID 156636409
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2-(2-methoxy-4-pyridinyl)-4-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]urea
CID 156636410
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-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-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea
CID 157401962
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-(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
CID 158550097
1-[6-cyclopropyloxy-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-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea
CID 159284413
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
CID 162142512
CID 162142512
1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea
CID 161129812
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
CID 162142516
bis(1-[amino-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-oxo-lambda6-sulfanylidene]-3-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea);bis(1-[amino-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-oxo-lambda6-sulfanylidene]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea)
CID 157422751
1-[amino-[(6S)-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-oxo-lambda6-sulfanylidene]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea
CID 157724059
1-[amino-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-oxo-lambda6-sulfanylidene]-3-[6-[2-(methylamino)ethoxy]-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[amino-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-oxo-lambda6-sulfanylidene]-3-[6-(methylaminomethyl)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[amino-(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)-oxo-lambda6-sulfanylidene]-3-[6-ethyl-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[amino-[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-oxo-lambda6-sulfanylidene]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[amino-[6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-oxo-lambda6-sulfanylidene]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[amino-(6-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepin-3-yl)-oxo-lambda6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 157742439

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;1-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]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;1-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea (CID 161129809) 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;1-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]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;1-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]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;1-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea is CC(C)c1cc(OC(C)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.CC(C)c1nn(C(C)(F)F)c(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.CC(C)c1nn(C)c(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCC(C)(C)C2.CCC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(C)c3C(C)C)cnn2C1.CCC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(CC(C)F)c3C(C)C)cnn2C1.CNC1COc2c(S(=O)(=O)NC(=O)Nc3c(C(C)C)nn(CC(C)(F)F)c3C(C)C)cnn2C1.COc1cc(-c2cc(C(C)(F)F)nc(C(C)C)c2NC(=O)NS(=O)(=O)c2cnn3c2OCCC3)ccn1.
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;1-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea?
The InChIKey is UMAOBCCDHXMMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N6O5S.C21H33FN6O4S.C20H31F2N7O4S.C20H27F2N5O5S.2C19H30N6O4S.C18H26F2N6O4S/c1-13(2)19-20(15(11-17(28-19)23(3,24)25)14-6-7-26-18(10-14)35-4)29-22(32)30-37(33,34)16-12-27-31-8-5-9-36-21(16)31;1-7-15-10-28-20(32-11-15)16(8-23-28)33(30,31)26-21(29)24-18-17(12(2)3)25-27(9-14(6)22)19(18)13(4)5;1-11(2)15-16(17(12(3)4)29(26-15)10-20(5,21)22)25-19(30)27-34(31,32)14-7-24-28-8-13(23-6)9-33-18(14)28;1-11(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;1-11(2)14-15(16(12(3)4)24(7)22-14)21-18(26)23-30(27,28)13-8-20-25-9-19(5,6)10-29-17(13)25;1-7-13-9-25-18(29-10-13)14(8-20-25)30(27,28)23-19(26)21-16-15(11(2)3)22-24(6)17(16)12(4)5;1-10(2)13-14(15(11(3)4)26(23-13)18(5,19)20)22-17(27)24-31(28,29)12-9-21-25-7-6-8-30-16(12)25/h6-7,10-13H,5,8-9H2,1-4H3,(H2,29,30,32);8,12-15H,7,9-11H2,1-6H3,(H2,24,26,29);7,11-13,23H,8-10H2,1-6H3,(H2,25,27,30);9-12H,6-8H2,1-5H3,(H2,25,26,28);8,11-12H,9-10H2,1-7H3,(H2,21,23,26);8,11-13H,7,9-10H2,1-6H3,(H2,21,23,26);9-11H,6-8H2,1-5H3,(H2,22,24,27).
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-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]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;1-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea has a molecular weight of 3349.88 g/mol, XLogP of 22.55, 47 rotatable bonds, 15 hydrogen bond donors, and 58 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;1-[1-(1,1-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;1-[6-(1,1-difluoroethyl)-4-(2-methoxy-4-pyridinyl)-2-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-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea;1-[(6-ethyl-6,7-dihydro-5H-pyrazolo[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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea is sourced from PubChem (CID 161129809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).