carbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine

C279H306F5N73O9S — CID 176542750

IUPACcarbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)NC1CCc2c(c(-c3cn[nH]c3C)nc3ccc4[nH]ncc4c23)C1.CCOC(=O)C1CCc2c(c(-c3cn[nH]c3C)nc3ccc4[nH]ncc4c23)C1.CN1CCc2c(c(-c3ccc4nc(N)sc4c3)nc3ccc4[nH]ncc4c23)C1.Cc1[nH]ncc1-c1[nH]c2ccc3nc(N4CCOCC4)nc3c2c2c1CCCC2.Cc1[nH]ncc1-c1[nH]c2ccc3ncnc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCO2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CN(C)CC2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1COCC2.Cc1[nH]ncc1-c1nc2ccc3n[nH]c(C)c3c2c2c1CCCC2.Cc1nn(C)cc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2.Cn1cc(-c2nc3c(F)cc4[nH]ncc4c3c3c2CCCC3)c(C(F)F)n1.O=C(NC1CC1)c1nc2ccc3[nH]ncc3c2c2c1CCCC2.O=C=O
InChIInChI=1S/C22H24N6O.C21H18N6S.C21H21N5O2.C20H20N6O.C19H16F3N5.C19H18FN5.C19H19N5.C18H16FN5.C18H18N6.2C18H17N5.C18H18N4O.C17H15N5O.C16H13N5O.CO2.14CH4/c1-13-16(12-23-27-13)20-15-5-3-2-4-14(15)19-17(24-20)6-7-18-21(19)26-22(25-18)28-8-10-29-11-9-28;1-27-7-6-12-14(10-27)20(11-2-3-16-18(8-11)28-21(22)25-16)24-17-5-4-15-13(19(12)17)9-23-26-15;1-3-28-21(27)12-4-5-13-14(8-12)20(15-9-22-25-11(15)2)24-18-7-6-17-16(19(13)18)10-23-26-17;1-10-15(8-21-25-10)20-14-7-12(23-11(2)27)3-4-13(14)19-16-9-22-26-17(16)5-6-18(19)24-20;1-27-8-12(17(26-27)19(21)22)16-10-5-3-2-4-9(10)15-11-7-23-25-14(11)6-13(20)18(15)24-16;1-10-14(9-25(2)24-10)18-12-6-4-3-5-11(12)17-13-8-21-23-16(13)7-15(20)19(17)22-18;1-10-14(9-20-22-10)19-13-6-4-3-5-12(13)18-15(21-19)7-8-16-17(18)11(2)23-24-16;1-9-12(7-20-23-9)17-11-5-3-2-4-10(11)16-13-8-21-24-15(13)6-14(19)18(16)22-17;1-10-12(7-19-22-10)18-14-9-24(2)6-5-11(14)17-13-8-20-23-15(13)3-4-16(17)21-18;1-10-13(8-19-22-10)18-12-5-3-2-4-11(12)17-14-9-20-23-15(14)6-7-16(17)21-18;1-10-13(8-21-23-10)17-12-5-3-2-4-11(12)16-14(22-17)6-7-15-18(16)20-9-19-15;23-18(20-10-5-6-10)17-12-4-2-1-3-11(12)16-13-9-19-22-14(13)7-8-15(16)21-17;1-9-11(6-18-21-9)17-13-8-23-5-4-10(13)16-12-7-19-22-14(12)2-3-15(16)20-17;1-8-10(6-17-20-8)15-9-4-5-22-16(9)14-11-7-18-21-12(11)2-3-13(14)19-15;2-1-3;;;;;;;;;;;;;;/h6-7,12,24H,2-5,8-11H2,1H3,(H,23,27);2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,23,26);6-7,9-10,12H,3-5,8H2,1-2H3,(H,22,25)(H,23,26);5-6,8-9,12H,3-4,7H2,1-2H3,(H,21,25)(H,22,26)(H,23,27);6-8,19H,2-5H2,1H3,(H,23,25);7-9H,3-6H2,1-2H3,(H,21,23);7-9H,3-6H2,1-2H3,(H,20,22)(H,23,24);6-8H,2-5H2,1H3,(H,20,23)(H,21,24);3-4,7-8H,5-6,9H2,1-2H3,(H,19,22)(H,20,23);6-9H,2-5H2,1H3,(H,19,22)(H,20,23);6-9,22H,2-5H2,1H3,(H,21,23);7-10H,1-6H2,(H,19,22)(H,20,23);2-3,6-7H,4-5,8H2,1H3,(H,18,21)(H,19,22);2-3,6-7H,4-5H2,1H3,(H,17,20)(H,18,21);;14*1H4
InChIKeyVHJSOPKUHKRZQW-UHFFFAOYSA-N
MW4953.08 g/mol
LogP56.90
Rot. Bonds20

About carbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine

carbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine (PubChem CID 176542750) has the molecular formula C279H306F5N73O9S and a molecular weight of 4953.08 g/mol. Its IUPAC name is carbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Namecarbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine
PubChem CID176542750
Molecular FormulaC279H306F5N73O9S
Molecular Weight4953.08 g/mol
Exact Mass4949.54
IUPAC Namecarbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)NC1CCc2c(c(-c3cn[nH]c3C)nc3ccc4[nH]ncc4c23)C1.CCOC(=O)C1CCc2c(c(-c3cn[nH]c3C)nc3ccc4[nH]ncc4c23)C1.CN1CCc2c(c(-c3ccc4nc(N)sc4c3)nc3ccc4[nH]ncc4c23)C1.Cc1[nH]ncc1-c1[nH]c2ccc3nc(N4CCOCC4)nc3c2c2c1CCCC2.Cc1[nH]ncc1-c1[nH]c2ccc3ncnc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCO2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CN(C)CC2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1COCC2.Cc1[nH]ncc1-c1nc2ccc3n[nH]c(C)c3c2c2c1CCCC2.Cc1nn(C)cc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2.Cn1cc(-c2nc3c(F)cc4[nH]ncc4c3c3c2CCCC3)c(C(F)F)n1.O=C(NC1CC1)c1nc2ccc3[nH]ncc3c2c2c1CCCC2.O=C=O
InChIInChI=1S/C22H24N6O.C21H18N6S.C21H21N5O2.C20H20N6O.C19H16F3N5.C19H18FN5.C19H19N5.C18H16FN5.C18H18N6.2C18H17N5.C18H18N4O.C17H15N5O.C16H13N5O.CO2.14CH4/c1-13-16(12-23-27-13)20-15-5-3-2-4-14(15)19-17(24-20)6-7-18-21(19)26-22(25-18)28-8-10-29-11-9-28;1-27-7-6-12-14(10-27)20(11-2-3-16-18(8-11)28-21(22)25-16)24-17-5-4-15-13(19(12)17)9-23-26-15;1-3-28-21(27)12-4-5-13-14(8-12)20(15-9-22-25-11(15)2)24-18-7-6-17-16(19(13)18)10-23-26-17;1-10-15(8-21-25-10)20-14-7-12(23-11(2)27)3-4-13(14)19-16-9-22-26-17(16)5-6-18(19)24-20;1-27-8-12(17(26-27)19(21)22)16-10-5-3-2-4-9(10)15-11-7-23-25-14(11)6-13(20)18(15)24-16;1-10-14(9-25(2)24-10)18-12-6-4-3-5-11(12)17-13-8-21-23-16(13)7-15(20)19(17)22-18;1-10-14(9-20-22-10)19-13-6-4-3-5-12(13)18-15(21-19)7-8-16-17(18)11(2)23-24-16;1-9-12(7-20-23-9)17-11-5-3-2-4-10(11)16-13-8-21-24-15(13)6-14(19)18(16)22-17;1-10-12(7-19-22-10)18-14-9-24(2)6-5-11(14)17-13-8-20-23-15(13)3-4-16(17)21-18;1-10-13(8-19-22-10)18-12-5-3-2-4-11(12)17-14-9-20-23-15(14)6-7-16(17)21-18;1-10-13(8-21-23-10)17-12-5-3-2-4-11(12)16-14(22-17)6-7-15-18(16)20-9-19-15;23-18(20-10-5-6-10)17-12-4-2-1-3-11(12)16-13-9-19-22-14(13)7-8-15(16)21-17;1-9-11(6-18-21-9)17-13-8-23-5-4-10(13)16-12-7-19-22-14(12)2-3-15(16)20-17;1-8-10(6-17-20-8)15-9-4-5-22-16(9)14-11-7-18-21-12(11)2-3-13(14)19-15;2-1-3;;;;;;;;;;;;;;/h6-7,12,24H,2-5,8-11H2,1H3,(H,23,27);2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,23,26);6-7,9-10,12H,3-5,8H2,1-2H3,(H,22,25)(H,23,26);5-6,8-9,12H,3-4,7H2,1-2H3,(H,21,25)(H,22,26)(H,23,27);6-8,19H,2-5H2,1H3,(H,23,25);7-9H,3-6H2,1-2H3,(H,21,23);7-9H,3-6H2,1-2H3,(H,20,22)(H,23,24);6-8H,2-5H2,1H3,(H,20,23)(H,21,24);3-4,7-8H,5-6,9H2,1-2H3,(H,19,22)(H,20,23);6-9H,2-5H2,1H3,(H,19,22)(H,20,23);6-9,22H,2-5H2,1H3,(H,21,23);7-10H,1-6H2,(H,19,22)(H,20,23);2-3,6-7H,4-5,8H2,1H3,(H,18,21)(H,19,22);2-3,6-7H,4-5H2,1H3,(H,17,20)(H,18,21);;14*1H4
InChIKeyVHJSOPKUHKRZQW-UHFFFAOYSA-N
XLogP56.90
TPSA1099.38 Ų
H-Bond Donors27
H-Bond Acceptors57
Rotatable Bonds20
Heavy Atoms367
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004953.08
LogP ≤ 556.90
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1057

Analyze carbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine with MolForge

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What is the IUPAC name of carbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of carbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine (CID 176542750) is carbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for carbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for carbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)NC1CCc2c(c(-c3cn[nH]c3C)nc3ccc4[nH]ncc4c23)C1.CCOC(=O)C1CCc2c(c(-c3cn[nH]c3C)nc3ccc4[nH]ncc4c23)C1.CN1CCc2c(c(-c3ccc4nc(N)sc4c3)nc3ccc4[nH]ncc4c23)C1.Cc1[nH]ncc1-c1[nH]c2ccc3nc(N4CCOCC4)nc3c2c2c1CCCC2.Cc1[nH]ncc1-c1[nH]c2ccc3ncnc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCO2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CN(C)CC2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1COCC2.Cc1[nH]ncc1-c1nc2ccc3n[nH]c(C)c3c2c2c1CCCC2.Cc1nn(C)cc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2.Cn1cc(-c2nc3c(F)cc4[nH]ncc4c3c3c2CCCC3)c(C(F)F)n1.O=C(NC1CC1)c1nc2ccc3[nH]ncc3c2c2c1CCCC2.O=C=O.
What is the InChIKey of carbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine?
The InChIKey is VHJSOPKUHKRZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O.C21H18N6S.C21H21N5O2.C20H20N6O.C19H16F3N5.C19H18FN5.C19H19N5.C18H16FN5.C18H18N6.2C18H17N5.C18H18N4O.C17H15N5O.C16H13N5O.CO2.14CH4/c1-13-16(12-23-27-13)20-15-5-3-2-4-14(15)19-17(24-20)6-7-18-21(19)26-22(25-18)28-8-10-29-11-9-28;1-27-7-6-12-14(10-27)20(11-2-3-16-18(8-11)28-21(22)25-16)24-17-5-4-15-13(19(12)17)9-23-26-15;1-3-28-21(27)12-4-5-13-14(8-12)20(15-9-22-25-11(15)2)24-18-7-6-17-16(19(13)18)10-23-26-17;1-10-15(8-21-25-10)20-14-7-12(23-11(2)27)3-4-13(14)19-16-9-22-26-17(16)5-6-18(19)24-20;1-27-8-12(17(26-27)19(21)22)16-10-5-3-2-4-9(10)15-11-7-23-25-14(11)6-13(20)18(15)24-16;1-10-14(9-25(2)24-10)18-12-6-4-3-5-11(12)17-13-8-21-23-16(13)7-15(20)19(17)22-18;1-10-14(9-20-22-10)19-13-6-4-3-5-12(13)18-15(21-19)7-8-16-17(18)11(2)23-24-16;1-9-12(7-20-23-9)17-11-5-3-2-4-10(11)16-13-8-21-24-15(13)6-14(19)18(16)22-17;1-10-12(7-19-22-10)18-14-9-24(2)6-5-11(14)17-13-8-20-23-15(13)3-4-16(17)21-18;1-10-13(8-19-22-10)18-12-5-3-2-4-11(12)17-14-9-20-23-15(14)6-7-16(17)21-18;1-10-13(8-21-23-10)17-12-5-3-2-4-11(12)16-14(22-17)6-7-15-18(16)20-9-19-15;23-18(20-10-5-6-10)17-12-4-2-1-3-11(12)16-13-9-19-22-14(13)7-8-15(16)21-17;1-9-11(6-18-21-9)17-13-8-23-5-4-10(13)16-12-7-19-22-14(12)2-3-15(16)20-17;1-8-10(6-17-20-8)15-9-4-5-22-16(9)14-11-7-18-21-12(11)2-3-13(14)19-15;2-1-3;;;;;;;;;;;;;;/h6-7,12,24H,2-5,8-11H2,1H3,(H,23,27);2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,23,26);6-7,9-10,12H,3-5,8H2,1-2H3,(H,22,25)(H,23,26);5-6,8-9,12H,3-4,7H2,1-2H3,(H,21,25)(H,22,26)(H,23,27);6-8,19H,2-5H2,1H3,(H,23,25);7-9H,3-6H2,1-2H3,(H,21,23);7-9H,3-6H2,1-2H3,(H,20,22)(H,23,24);6-8H,2-5H2,1H3,(H,20,23)(H,21,24);3-4,7-8H,5-6,9H2,1-2H3,(H,19,22)(H,20,23);6-9H,2-5H2,1H3,(H,19,22)(H,20,23);6-9,22H,2-5H2,1H3,(H,21,23);7-10H,1-6H2,(H,19,22)(H,20,23);2-3,6-7H,4-5,8H2,1H3,(H,18,21)(H,19,22);2-3,6-7H,4-5H2,1H3,(H,17,20)(H,18,21);;14*1H4.
What are the key properties of carbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine?
carbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine has a molecular weight of 4953.08 g/mol, XLogP of 56.90, 20 rotatable bonds, 27 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-cyclopropyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;ethyl 7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylate;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;methane;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridin-2-yl]morpholine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 176542750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).