About 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-[5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[4-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[[2-fluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-[5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[4-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[[2-fluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 157458086) has the molecular formula C133H184ClF3N30O18S6
and a molecular weight of 2775.98 g/mol. Its IUPAC name is 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-[5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[4-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[[2-fluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
Frequently Asked Questions
What is the IUPAC name of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-[5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[4-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[[2-fluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The IUPAC name of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-[5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[4-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[[2-fluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 157458086) is 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-[5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[4-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[[2-fluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
What is the SMILES notation for 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-[5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[4-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[[2-fluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The canonical SMILES for 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-[5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[4-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[[2-fluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN(C)CC(F)F.CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN(C)CCF.CN(C)C1(c2cc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)nn2C)CC1.CN(C)C1CCCn2nc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cc21.CN(C)CCc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.
What is the InChIKey of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-[5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[4-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[[2-fluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The InChIKey is BTPDVVVOEJMVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2N5O3S.C23H32FN5O3S.C22H34ClN5O3S.2C22H29N5O3S.C21H29N5O3S/c1-14(2)30-17(12-29(3)13-20(24)25)11-21(27-30)34(32,33)28-23(31)26-22-18-8-4-6-15(18)10-16-7-5-9-19(16)22;1-15(2)29-18(14-28(3)11-10-24)13-21(26-29)33(31,32)27-23(30)25-22-19-8-4-6-16(19)12-17-7-5-9-20(17)22;1-13(2)18-9-16(23)10-19(14(3)4)21(18)24-22(29)26-32(30,31)20-11-17(12-27(7)8)28(25-20)15(5)6;1-26(2)22(10-11-22)18-13-19(24-27(18)3)31(29,30)25-21(28)23-20-16-8-4-6-14(16)12-15-7-5-9-17(15)20;1-26(2)18-10-5-11-27-19(18)13-20(24-27)31(29,30)25-22(28)23-21-16-8-3-6-14(16)12-15-7-4-9-17(15)21;1-25(2)11-10-16-13-19(23-26(16)3)30(28,29)24-21(27)22-20-17-8-4-6-14(17)12-15-7-5-9-18(15)20/h10-11,14,20H,4-9,12-13H2,1-3H3,(H2,26,28,31);12-13,15H,4-11,14H2,1-3H3,(H2,25,27,30);9-11,13-15H,12H2,1-8H3,(H2,24,26,29);12-13H,4-11H2,1-3H3,(H2,23,25,28);12-13,18H,3-11H2,1-2H3,(H2,23,25,28);12-13H,4-11H2,1-3H3,(H2,22,24,27).
What are the key properties of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-[5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[4-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[[2-fluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-[5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[4-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[[2-fluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 2775.98 g/mol, XLogP of 19.18, 39 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-[5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[4-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[[2-fluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 157458086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).