5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine

C219H285N61O15S3 — CID 163902147

IUPAC5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine
SMILESC.C.C.C.C.C.C.C.C.Cc1[nH]ncc1-c1nc2c(OCCCN3CCN(C)CC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCCN3CCOCC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCN(C)C)cc3[nH]nc(NS(=O)(=O)N(C)C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCN3CCN(C)CC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCN3CCOCC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(NC(=O)C4CC4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(NC(=O)CN4CCN(C)CC4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(NS(=O)(=O)N(C)C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(NS(C)(=O)=O)c3c2c2c1CCCC2
InChIInChI=1S/C26H33N7O.C25H30N8O.C25H31N7O.C25H30N6O2.C24H32N8O3S.C24H28N6O2.C22H22N6O.C20H23N7O2S.C19H20N6O2S.9CH4/c1-17-20(15-27-30-17)25-19-7-4-3-6-18(19)24-21-16-28-31-22(21)14-23(26(24)29-25)34-13-5-8-33-11-9-32(2)10-12-33;1-15-18(13-26-29-15)24-17-6-4-3-5-16(17)22-19(27-24)7-8-20-23(22)25(31-30-20)28-21(34)14-33-11-9-32(2)10-12-33;1-16-19(14-26-29-16)24-18-6-4-3-5-17(18)23-20-15-27-30-21(20)13-22(25(23)28-24)33-12-11-32-9-7-31(2)8-10-32;1-16-19(14-26-29-16)24-18-6-3-2-5-17(18)23-20-15-27-30-21(20)13-22(25(23)28-24)33-10-4-7-31-8-11-32-12-9-31;1-14-17(13-25-27-14)22-16-9-7-6-8-15(16)20-21-18(28-29-24(21)30-36(33,34)32(4)5)12-19(23(20)26-22)35-11-10-31(2)3;1-15-18(13-25-28-15)23-17-5-3-2-4-16(17)22-19-14-26-29-20(19)12-21(24(22)27-23)32-11-8-30-6-9-31-10-7-30;1-11-15(10-23-26-11)20-14-5-3-2-4-13(14)18-16(24-20)8-9-17-19(18)21(28-27-17)25-22(29)12-6-7-12;1-11-14(10-21-23-11)19-13-7-5-4-6-12(13)17-15(22-19)8-9-16-18(17)20(25-24-16)26-30(28,29)27(2)3;1-10-13(9-20-22-10)18-12-6-4-3-5-11(12)16-14(21-18)7-8-15-17(16)19(24-23-15)25-28(2,26)27;;;;;;;;;/h14-16H,3-13H2,1-2H3,(H,27,30)(H,28,31);7-8,13H,3-6,9-12,14H2,1-2H3,(H,26,29)(H2,28,30,31,34);13-15H,3-12H2,1-2H3,(H,26,29)(H,27,30);13-15H,2-12H2,1H3,(H,26,29)(H,27,30);12-13H,6-11H2,1-5H3,(H,25,27)(H2,28,29,30);12-14H,2-11H2,1H3,(H,25,28)(H,26,29);8-10,12H,2-7H2,1H3,(H,23,26)(H2,25,27,28,29);8-10H,4-7H2,1-3H3,(H,21,23)(H2,24,25,26);7-9H,3-6H2,1-2H3,(H,20,22)(H2,23,24,25);9*1H4
InChIKeyQKUBHHZQLPADNS-UHFFFAOYSA-N
MW4108.30 g/mol
LogP35.66
Rot. Bonds44

About 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine

5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine (PubChem CID 163902147) has the molecular formula C219H285N61O15S3 and a molecular weight of 4108.30 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine
PubChem CID163902147
Molecular FormulaC219H285N61O15S3
Molecular Weight4108.30 g/mol
Exact Mass4105.26
IUPAC Name5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine
SMILESC.C.C.C.C.C.C.C.C.Cc1[nH]ncc1-c1nc2c(OCCCN3CCN(C)CC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCCN3CCOCC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCN(C)C)cc3[nH]nc(NS(=O)(=O)N(C)C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCN3CCN(C)CC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCN3CCOCC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(NC(=O)C4CC4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(NC(=O)CN4CCN(C)CC4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(NS(=O)(=O)N(C)C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(NS(C)(=O)=O)c3c2c2c1CCCC2
InChIInChI=1S/C26H33N7O.C25H30N8O.C25H31N7O.C25H30N6O2.C24H32N8O3S.C24H28N6O2.C22H22N6O.C20H23N7O2S.C19H20N6O2S.9CH4/c1-17-20(15-27-30-17)25-19-7-4-3-6-18(19)24-21-16-28-31-22(21)14-23(26(24)29-25)34-13-5-8-33-11-9-32(2)10-12-33;1-15-18(13-26-29-15)24-17-6-4-3-5-16(17)22-19(27-24)7-8-20-23(22)25(31-30-20)28-21(34)14-33-11-9-32(2)10-12-33;1-16-19(14-26-29-16)24-18-6-4-3-5-17(18)23-20-15-27-30-21(20)13-22(25(23)28-24)33-12-11-32-9-7-31(2)8-10-32;1-16-19(14-26-29-16)24-18-6-3-2-5-17(18)23-20-15-27-30-21(20)13-22(25(23)28-24)33-10-4-7-31-8-11-32-12-9-31;1-14-17(13-25-27-14)22-16-9-7-6-8-15(16)20-21-18(28-29-24(21)30-36(33,34)32(4)5)12-19(23(20)26-22)35-11-10-31(2)3;1-15-18(13-25-28-15)23-17-5-3-2-4-16(17)22-19-14-26-29-20(19)12-21(24(22)27-23)32-11-8-30-6-9-31-10-7-30;1-11-15(10-23-26-11)20-14-5-3-2-4-13(14)18-16(24-20)8-9-17-19(18)21(28-27-17)25-22(29)12-6-7-12;1-11-14(10-21-23-11)19-13-7-5-4-6-12(13)17-15(22-19)8-9-16-18(17)20(25-24-16)26-30(28,29)27(2)3;1-10-13(9-20-22-10)18-12-6-4-3-5-11(12)16-14(21-18)7-8-15-17(16)19(24-23-15)25-28(2,26)27;;;;;;;;;/h14-16H,3-13H2,1-2H3,(H,27,30)(H,28,31);7-8,13H,3-6,9-12,14H2,1-2H3,(H,26,29)(H2,28,30,31,34);13-15H,3-12H2,1-2H3,(H,26,29)(H,27,30);13-15H,2-12H2,1H3,(H,26,29)(H,27,30);12-13H,6-11H2,1-5H3,(H,25,27)(H2,28,29,30);12-14H,2-11H2,1H3,(H,25,28)(H,26,29);8-10,12H,2-7H2,1H3,(H,23,26)(H2,25,27,28,29);8-10H,4-7H2,1-3H3,(H,21,23)(H2,24,25,26);7-9H,3-6H2,1-2H3,(H,20,22)(H2,23,24,25);9*1H4
InChIKeyQKUBHHZQLPADNS-UHFFFAOYSA-N
XLogP35.66
TPSA929.21 Ų
H-Bond Donors23
H-Bond Acceptors51
Rotatable Bonds44
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004108.30
LogP ≤ 535.66
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1051

Analyze 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine with MolForge

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What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine (CID 163902147) is 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine is C.C.C.C.C.C.C.C.C.Cc1[nH]ncc1-c1nc2c(OCCCN3CCN(C)CC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCCN3CCOCC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCN(C)C)cc3[nH]nc(NS(=O)(=O)N(C)C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCN3CCN(C)CC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCN3CCOCC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(NC(=O)C4CC4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(NC(=O)CN4CCN(C)CC4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(NS(=O)(=O)N(C)C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(NS(C)(=O)=O)c3c2c2c1CCCC2.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine?
The InChIKey is QKUBHHZQLPADNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O.C25H30N8O.C25H31N7O.C25H30N6O2.C24H32N8O3S.C24H28N6O2.C22H22N6O.C20H23N7O2S.C19H20N6O2S.9CH4/c1-17-20(15-27-30-17)25-19-7-4-3-6-18(19)24-21-16-28-31-22(21)14-23(26(24)29-25)34-13-5-8-33-11-9-32(2)10-12-33;1-15-18(13-26-29-15)24-17-6-4-3-5-16(17)22-19(27-24)7-8-20-23(22)25(31-30-20)28-21(34)14-33-11-9-32(2)10-12-33;1-16-19(14-26-29-16)24-18-6-4-3-5-17(18)23-20-15-27-30-21(20)13-22(25(23)28-24)33-12-11-32-9-7-31(2)8-10-32;1-16-19(14-26-29-16)24-18-6-3-2-5-17(18)23-20-15-27-30-21(20)13-22(25(23)28-24)33-10-4-7-31-8-11-32-12-9-31;1-14-17(13-25-27-14)22-16-9-7-6-8-15(16)20-21-18(28-29-24(21)30-36(33,34)32(4)5)12-19(23(20)26-22)35-11-10-31(2)3;1-15-18(13-25-28-15)23-17-5-3-2-4-16(17)22-19-14-26-29-20(19)12-21(24(22)27-23)32-11-8-30-6-9-31-10-7-30;1-11-15(10-23-26-11)20-14-5-3-2-4-13(14)18-16(24-20)8-9-17-19(18)21(28-27-17)25-22(29)12-6-7-12;1-11-14(10-21-23-11)19-13-7-5-4-6-12(13)17-15(22-19)8-9-16-18(17)20(25-24-16)26-30(28,29)27(2)3;1-10-13(9-20-22-10)18-12-6-4-3-5-11(12)16-14(21-18)7-8-15-17(16)19(24-23-15)25-28(2,26)27;;;;;;;;;/h14-16H,3-13H2,1-2H3,(H,27,30)(H,28,31);7-8,13H,3-6,9-12,14H2,1-2H3,(H,26,29)(H2,28,30,31,34);13-15H,3-12H2,1-2H3,(H,26,29)(H,27,30);13-15H,2-12H2,1H3,(H,26,29)(H,27,30);12-13H,6-11H2,1-5H3,(H,25,27)(H2,28,29,30);12-14H,2-11H2,1H3,(H,25,28)(H,26,29);8-10,12H,2-7H2,1H3,(H,23,26)(H2,25,27,28,29);8-10H,4-7H2,1-3H3,(H,21,23)(H2,24,25,26);7-9H,3-6H2,1-2H3,(H,20,22)(H2,23,24,25);9*1H4.
What are the key properties of 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine?
5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine has a molecular weight of 4108.30 g/mol, XLogP of 35.66, 44 rotatable bonds, 23 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-(dimethylsulfamoylamino)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-(4-methylpiperazin-1-yl)-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]acetamide;5-[3-(4-methylpiperazin-1-yl)propoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]cyclopropanecarboxamide;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanesulfonamide;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine is sourced from PubChem (CID 163902147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).