About 1-[5-(azetidin-1-ylmethyl)-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;4-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylcarbamoylamino]-5-fluorophenyl]pyridine-2-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[1-(3-methylazetidin-1-yl)ethyl]pyrazol-3-yl]sulfonylurea
1-[5-(azetidin-1-ylmethyl)-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;4-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylcarbamoylamino]-5-fluorophenyl]pyridine-2-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[1-(3-methylazetidin-1-yl)ethyl]pyrazol-3-yl]sulfonylurea (PubChem CID 161265986) has the molecular formula C137H183FN32O19S6
and a molecular weight of 2793.58 g/mol. Its IUPAC name is 1-[5-(azetidin-1-ylmethyl)-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;4-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylcarbamoylamino]-5-fluorophenyl]pyridine-2-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[1-(3-methylazetidin-1-yl)ethyl]pyrazol-3-yl]sulfonylurea.
Frequently Asked Questions
What is the IUPAC name of 1-[5-(azetidin-1-ylmethyl)-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;4-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylcarbamoylamino]-5-fluorophenyl]pyridine-2-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[1-(3-methylazetidin-1-yl)ethyl]pyrazol-3-yl]sulfonylurea?
The IUPAC name of 1-[5-(azetidin-1-ylmethyl)-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;4-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylcarbamoylamino]-5-fluorophenyl]pyridine-2-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[1-(3-methylazetidin-1-yl)ethyl]pyrazol-3-yl]sulfonylurea (CID 161265986) is 1-[5-(azetidin-1-ylmethyl)-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;4-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylcarbamoylamino]-5-fluorophenyl]pyridine-2-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[1-(3-methylazetidin-1-yl)ethyl]pyrazol-3-yl]sulfonylurea.
What is the SMILES notation for 1-[5-(azetidin-1-ylmethyl)-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;4-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylcarbamoylamino]-5-fluorophenyl]pyridine-2-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[1-(3-methylazetidin-1-yl)ethyl]pyrazol-3-yl]sulfonylurea?
The canonical SMILES for 1-[5-(azetidin-1-ylmethyl)-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;4-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylcarbamoylamino]-5-fluorophenyl]pyridine-2-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[1-(3-methylazetidin-1-yl)ethyl]pyrazol-3-yl]sulfonylurea is CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1C1(N(C)C)CC1.CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CCN(C)C.CC1CN(C(C)c2cc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)nn2C)C1.CN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1CC(C)(C)C.CN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2ccc(F)cc2-c2ccnc(C(N)=O)c2)nn1C.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cc(CN2CCC2)n(C2CC2)n1.
What is the InChIKey of 1-[5-(azetidin-1-ylmethyl)-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;4-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylcarbamoylamino]-5-fluorophenyl]pyridine-2-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[1-(3-methylazetidin-1-yl)ethyl]pyrazol-3-yl]sulfonylurea?
The InChIKey is VDEQFCLLCIAHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3S.C24H35N5O3S.C23H29N5O3S.C23H31N5O3S.C23H33N5O3S.C20H22FN7O4S/c1-15(2)29-20(24(11-12-24)28(3)4)14-21(26-29)33(31,32)27-23(30)25-22-18-9-5-7-16(18)13-17-8-6-10-19(17)22;1-24(2,3)15-29-18(14-28(4)5)13-21(26-29)33(31,32)27-23(30)25-22-19-10-6-8-16(19)12-17-9-7-11-20(17)22;29-23(24-22-19-6-1-4-15(19)12-16-5-2-7-20(16)22)26-32(30,31)21-13-18(14-27-10-3-11-27)28(25-21)17-8-9-17;1-14-12-28(13-14)15(2)20-11-21(25-27(20)3)32(30,31)26-23(29)24-22-18-8-4-6-16(18)10-17-7-5-9-19(17)22;1-15(2)28-18(11-12-27(3)4)14-21(25-28)32(30,31)26-23(29)24-22-19-9-5-7-16(19)13-17-8-6-10-20(17)22;1-27(2)11-14-10-18(25-28(14)3)33(31,32)26-20(30)24-16-5-4-13(21)9-15(16)12-6-7-23-17(8-12)19(22)29/h13-15H,5-12H2,1-4H3,(H2,25,27,30);12-13H,6-11,14-15H2,1-5H3,(H2,25,27,30);12-13,17H,1-11,14H2,(H2,24,26,29);10-11,14-15H,4-9,12-13H2,1-3H3,(H2,24,26,29);13-15H,5-12H2,1-4H3,(H2,24,26,29);4-10H,11H2,1-3H3,(H2,22,29)(H2,24,26,30).
What are the key properties of 1-[5-(azetidin-1-ylmethyl)-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;4-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylcarbamoylamino]-5-fluorophenyl]pyridine-2-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[1-(3-methylazetidin-1-yl)ethyl]pyrazol-3-yl]sulfonylurea?
1-[5-(azetidin-1-ylmethyl)-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;4-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylcarbamoylamino]-5-fluorophenyl]pyridine-2-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[1-(3-methylazetidin-1-yl)ethyl]pyrazol-3-yl]sulfonylurea has a molecular weight of 2793.58 g/mol, XLogP of 17.16, 37 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(azetidin-1-ylmethyl)-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)cyclopropyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;4-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylcarbamoylamino]-5-fluorophenyl]pyridine-2-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[1-(3-methylazetidin-1-yl)ethyl]pyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 161265986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).