1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea

C116H156F3N23O17S5 — CID 157098951

IUPAC1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea
SMILESCCCc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1C(C)C.CCn1cc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(F)cc2C(C)C)cc1CN(C)C.CCn1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN1CCC1.COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C(C)C)n2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C)n2)ccn1
InChIInChI=1S/C25H33FN6O4S.C23H29FN6O4S.C23H30N4O3S.C23H31N3O3S.C22H33FN4O3S/c1-15(2)20-11-18(26)12-21(17-8-9-27-22(10-17)36-7)24(20)28-25(33)30-37(34,35)23-13-19(14-31(5)6)32(29-23)16(3)4;1-14(2)18-10-16(24)11-19(15-7-8-25-20(9-15)34-6)22(18)26-23(31)28-35(32,33)21-12-17(13-29(3)4)30(5)27-21;1-2-27-15-19(13-18(27)14-26-10-5-11-26)31(29,30)25-23(28)24-22-20-8-3-6-16(20)12-17-7-4-9-21(17)22;1-4-7-18-13-19(14-26(18)15(2)3)30(28,29)25-23(27)24-22-20-10-5-8-16(20)12-17-9-6-11-21(17)22;1-8-27-13-18(11-17(27)12-26(6)7)31(29,30)25-22(28)24-21-19(14(2)3)9-16(23)10-20(21)15(4)5/h8-13,15-16H,14H2,1-7H3,(H2,28,30,33);7-12,14H,13H2,1-6H3,(H2,26,28,31);12-13,15H,2-11,14H2,1H3,(H2,24,25,28);12-15H,4-11H2,1-3H3,(H2,24,25,27);9-11,13-15H,8,12H2,1-7H3,(H2,24,25,28)
InChIKeyAFNRCAPCZVIICU-UHFFFAOYSA-N
MW2362.00 g/mol
LogP19.87
Rot. Bonds37

About 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea

1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea (PubChem CID 157098951) has the molecular formula C116H156F3N23O17S5 and a molecular weight of 2362.00 g/mol. Its IUPAC name is 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea
PubChem CID157098951
Molecular FormulaC116H156F3N23O17S5
Molecular Weight2362.00 g/mol
Exact Mass2360.06
IUPAC Name1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea
SMILESCCCc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1C(C)C.CCn1cc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(F)cc2C(C)C)cc1CN(C)C.CCn1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN1CCC1.COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C(C)C)n2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C)n2)ccn1
InChIInChI=1S/C25H33FN6O4S.C23H29FN6O4S.C23H30N4O3S.C23H31N3O3S.C22H33FN4O3S/c1-15(2)20-11-18(26)12-21(17-8-9-27-22(10-17)36-7)24(20)28-25(33)30-37(34,35)23-13-19(14-31(5)6)32(29-23)16(3)4;1-14(2)18-10-16(24)11-19(15-7-8-25-20(9-15)34-6)22(18)26-23(31)28-35(32,33)21-12-17(13-29(3)4)30(5)27-21;1-2-27-15-19(13-18(27)14-26-10-5-11-26)31(29,30)25-23(28)24-22-20-8-3-6-16(20)12-17-7-4-9-21(17)22;1-4-7-18-13-19(14-26(18)15(2)3)30(28,29)25-23(27)24-22-20-10-5-8-16(20)12-17-9-6-11-21(17)22;1-8-27-13-18(11-17(27)12-26(6)7)31(29,30)25-22(28)24-21-19(14(2)3)9-16(23)10-20(21)15(4)5/h8-13,15-16H,14H2,1-7H3,(H2,28,30,33);7-12,14H,13H2,1-6H3,(H2,26,28,31);12-13,15H,2-11,14H2,1H3,(H2,24,25,28);12-15H,4-11H2,1-3H3,(H2,24,25,27);9-11,13-15H,8,12H2,1-7H3,(H2,24,25,28)
InChIKeyAFNRCAPCZVIICU-UHFFFAOYSA-N
XLogP19.87
TPSA483.98 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds37
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002362.00
LogP ≤ 519.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea with MolForge

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Related Compounds

1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[7-[[[6-[(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)carbamoylsulfamoyl]pyridazin-4-yl]-methylamino]methyl]-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137403947
1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[1-[2-[3-[[7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoylsulfamoyl]pyrazol-1-yl]cyclopropyl]-7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137509619
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-[5-[1-[2-[[4-[[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylcarbamoylamino]-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethyl]-3-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)carbamoylsulfamoyl]pyrazol-5-yl]-2-methoxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
CID 137509981
1-[(4-chloro-1-propan-2-ylpyrazol-3-yl)sulfonimidoyl]-3-[7-fluoro-5-[2-[5-(2-methoxy-4-pyridinyl)-4-[[(1-propan-2-ylpyrazol-3-yl)sulfonimidoyl]carbamoylamino]-2,3-dihydro-1H-inden-2-yl]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
CID 138532657
1-[5-[2-(difluoromethoxy)-6-[5-(2-methoxy-6-methyl-4-pyridinyl)-4-[(1-propan-2-ylpyrazol-3-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-1-yl]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 155313257
2-[[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylamino]-N-[1-[5-[4-[[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylcarbamoylamino]-7-fluoro-2,3-dihydro-1H-inden-5-yl]-2-pyridinyl]-7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 156345146
1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea
CID 157415447
1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 158881704
1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea
CID 159669200
1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
CID 165082817
1-[1-cyclopropyl-5-(methylaminomethyl)pyrazol-3-yl]sulfonyl-3-[2-[[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyrazol-1-yl]ethyl-methylamino]methyl]-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137512973
1-[1-[1-[3-[[5-(2-cyano-4-pyridinyl)-4-[[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-2-yl]methoxy]azetidin-1-yl]-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 142529230

Frequently Asked Questions

What is the IUPAC name of 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea?
The IUPAC name of 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea (CID 157098951) is 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea.
What is the SMILES notation for 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea?
The canonical SMILES for 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea is CCCc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1C(C)C.CCn1cc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(F)cc2C(C)C)cc1CN(C)C.CCn1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN1CCC1.COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C(C)C)n2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C)n2)ccn1.
What is the InChIKey of 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea?
The InChIKey is AFNRCAPCZVIICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O4S.C23H29FN6O4S.C23H30N4O3S.C23H31N3O3S.C22H33FN4O3S/c1-15(2)20-11-18(26)12-21(17-8-9-27-22(10-17)36-7)24(20)28-25(33)30-37(34,35)23-13-19(14-31(5)6)32(29-23)16(3)4;1-14(2)18-10-16(24)11-19(15-7-8-25-20(9-15)34-6)22(18)26-23(31)28-35(32,33)21-12-17(13-29(3)4)30(5)27-21;1-2-27-15-19(13-18(27)14-26-10-5-11-26)31(29,30)25-23(28)24-22-20-8-3-6-16(20)12-17-7-4-9-21(17)22;1-4-7-18-13-19(14-26(18)15(2)3)30(28,29)25-23(27)24-22-20-10-5-8-16(20)12-17-9-6-11-21(17)22;1-8-27-13-18(11-17(27)12-26(6)7)31(29,30)25-22(28)24-21-19(14(2)3)9-16(23)10-20(21)15(4)5/h8-13,15-16H,14H2,1-7H3,(H2,28,30,33);7-12,14H,13H2,1-6H3,(H2,26,28,31);12-13,15H,2-11,14H2,1H3,(H2,24,25,28);12-15H,4-11H2,1-3H3,(H2,24,25,27);9-11,13-15H,8,12H2,1-7H3,(H2,24,25,28).
What are the key properties of 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea?
1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea has a molecular weight of 2362.00 g/mol, XLogP of 19.87, 37 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea is sourced from PubChem (CID 157098951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).