9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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

C115H85F13N30O3S2 — CID 163778871

IUPAC9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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
SMILESCN1CCc2c(c(-c3ccc4nc(N)sc4c3)nc3ccc4[nH]ncc4c23)C1.Cc1nc2ccc(-c3cc(C(=O)O)c4c(ccc5[nH]ncc54)n3)cc2s1.FC(F)(F)C1=NCC=C1c1cc(-c2ccccn2)c2c(ccc3[nH]ncc32)n1.FC(F)(F)C1=NCC=C1c1nc2ccc3[nH]ncc3c2c2c1COCC2.FC(F)(F)c1[nH]ncc1-c1cc(C2CCCCC2)c2c(ccc3[nH]ncc32)n1.Fc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CNCC3
InChIInChI=1S/C21H18N6S.C20H12F3N5.C20H18F3N5.C19H12N4O2S.C18H13F3N4O.C17H12F4N6/c1-27-7-6-12-14(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;21-20(22,23)19-11(6-8-25-19)17-9-12(14-3-1-2-7-24-14)18-13-10-26-28-15(13)4-5-16(18)27-17;21-20(22,23)19-14(10-25-28-19)17-8-12(11-4-2-1-3-5-11)18-13-9-24-27-15(13)6-7-16(18)26-17;1-9-21-14-3-2-10(6-17(14)26-9)16-7-11(19(24)25)18-12-8-20-23-13(12)4-5-15(18)22-16;19-18(20,21)17-10(3-5-22-17)16-12-8-26-6-4-9(12)15-11-7-23-25-13(11)1-2-14(15)24-16;18-11-3-12-9(5-23-26-12)13-7-1-2-22-4-8(7)14(25-15(11)13)10-6-24-27-16(10)17(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,23,26);1-7,9-10H,8H2,(H,26,28);6-11H,1-5H2,(H,24,27)(H,25,28);2-8H,1H3,(H,20,23)(H,24,25);1-3,7H,4-6,8H2,(H,23,25);3,5-6,22H,1-2,4H2,(H,23,26)(H,24,27)
InChIKeyMMWCVTMUAWPHTG-UHFFFAOYSA-N
MW2246.26 g/mol
LogP25.38
Rot. Bonds9

About 9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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

9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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 (PubChem CID 163778871) has the molecular formula C115H85F13N30O3S2 and a molecular weight of 2246.26 g/mol. Its IUPAC name is 9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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.

Molecular Properties

Compound Name9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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
PubChem CID163778871
Molecular FormulaC115H85F13N30O3S2
Molecular Weight2246.26 g/mol
Exact Mass2244.67
IUPAC Name9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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
SMILESCN1CCc2c(c(-c3ccc4nc(N)sc4c3)nc3ccc4[nH]ncc4c23)C1.Cc1nc2ccc(-c3cc(C(=O)O)c4c(ccc5[nH]ncc54)n3)cc2s1.FC(F)(F)C1=NCC=C1c1cc(-c2ccccn2)c2c(ccc3[nH]ncc32)n1.FC(F)(F)C1=NCC=C1c1nc2ccc3[nH]ncc3c2c2c1COCC2.FC(F)(F)c1[nH]ncc1-c1cc(C2CCCCC2)c2c(ccc3[nH]ncc32)n1.Fc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CNCC3
InChIInChI=1S/C21H18N6S.C20H12F3N5.C20H18F3N5.C19H12N4O2S.C18H13F3N4O.C17H12F4N6/c1-27-7-6-12-14(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;21-20(22,23)19-11(6-8-25-19)17-9-12(14-3-1-2-7-24-14)18-13-10-26-28-15(13)4-5-16(18)27-17;21-20(22,23)19-14(10-25-28-19)17-8-12(11-4-2-1-3-5-11)18-13-9-24-27-15(13)6-7-16(18)26-17;1-9-21-14-3-2-10(6-17(14)26-9)16-7-11(19(24)25)18-12-8-20-23-13(12)4-5-15(18)22-16;19-18(20,21)17-10(3-5-22-17)16-12-8-26-6-4-9(12)15-11-7-23-25-13(11)1-2-14(15)24-16;18-11-3-12-9(5-23-26-12)13-7-1-2-22-4-8(7)14(25-15(11)13)10-6-24-27-16(10)17(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,23,26);1-7,9-10H,8H2,(H,26,28);6-11H,1-5H2,(H,24,27)(H,25,28);2-8H,1H3,(H,20,23)(H,24,25);1-3,7H,4-6,8H2,(H,23,25);3,5-6,22H,1-2,4H2,(H,23,26)(H,24,27)
InChIKeyMMWCVTMUAWPHTG-UHFFFAOYSA-N
XLogP25.38
TPSA457.99 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds9
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002246.26
LogP ≤ 525.38
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Analyze 9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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 with MolForge

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Launch Full Analysis

Related Compounds

[7-(2-amino-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 157605310
9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;methane;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroisoindolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;[9-methyl-5-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-2,4-dihydro-1H-pyrano[3,4-c]quinolin-10-yl]methanimine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline
CID 163445994
9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-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-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine
CID 158324511
9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-2H-pyrrol-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;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine
CID 159338934
7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-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;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 159477803
3,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylic acid;methane;2-methyl-6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazole;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperidine-2,6-dione
CID 164145776
(1Z,3Z)-3-methanimidoyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydrofuran-5-yl]hexa-1,3,5-triene-1,4-diamine;N-methylmethanamine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;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;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-[C-[(E)-prop-1-enyl]-N-[(E,4Z)-4-(prop-2-enylhydrazinylidene)but-1-enyl]carbonimidoyl]-1,3-benzothiazol-2-amine;hydrofluoride
CID 172955953
CID 176542750
CID 176542750

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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?
The IUPAC name of 9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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 (CID 163778871) is 9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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.
What is the SMILES notation for 9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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?
The canonical SMILES for 9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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 is CN1CCc2c(c(-c3ccc4nc(N)sc4c3)nc3ccc4[nH]ncc4c23)C1.Cc1nc2ccc(-c3cc(C(=O)O)c4c(ccc5[nH]ncc54)n3)cc2s1.FC(F)(F)C1=NCC=C1c1cc(-c2ccccn2)c2c(ccc3[nH]ncc32)n1.FC(F)(F)C1=NCC=C1c1nc2ccc3[nH]ncc3c2c2c1COCC2.FC(F)(F)c1[nH]ncc1-c1cc(C2CCCCC2)c2c(ccc3[nH]ncc32)n1.Fc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CNCC3.
What is the InChIKey of 9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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?
The InChIKey is MMWCVTMUAWPHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6S.C20H12F3N5.C20H18F3N5.C19H12N4O2S.C18H13F3N4O.C17H12F4N6/c1-27-7-6-12-14(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;21-20(22,23)19-11(6-8-25-19)17-9-12(14-3-1-2-7-24-14)18-13-10-26-28-15(13)4-5-16(18)27-17;21-20(22,23)19-14(10-25-28-19)17-8-12(11-4-2-1-3-5-11)18-13-9-24-27-15(13)6-7-16(18)26-17;1-9-21-14-3-2-10(6-17(14)26-9)16-7-11(19(24)25)18-12-8-20-23-13(12)4-5-15(18)22-16;19-18(20,21)17-10(3-5-22-17)16-12-8-26-6-4-9(12)15-11-7-23-25-13(11)1-2-14(15)24-16;18-11-3-12-9(5-23-26-12)13-7-1-2-22-4-8(7)14(25-15(11)13)10-6-24-27-16(10)17(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,23,26);1-7,9-10H,8H2,(H,26,28);6-11H,1-5H2,(H,24,27)(H,25,28);2-8H,1H3,(H,20,23)(H,24,25);1-3,7H,4-6,8H2,(H,23,25);3,5-6,22H,1-2,4H2,(H,23,26)(H,24,27).
What are the key properties of 9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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?
9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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 has a molecular weight of 2246.26 g/mol, XLogP of 25.38, 9 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-indazolo[5,4-c][2,7]naphthyridine;7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine;9-pyridin-2-yl-7-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-3H-pyrazolo[4,5-f]quinoline;8-[5-(trifluoromethyl)-2H-pyrrol-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 is sourced from PubChem (CID 163778871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).