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

C118H96F10N28O3S2 — CID 163445994

About 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

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 (PubChem CID 163445994) has the molecular formula C118H96F10N28O3S2 and a molecular weight of 2208.37 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-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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 163445994
• Molecular Formula: C118H96F10N28O3S2
• Molecular Weight: 2208.37 g/mol
• Exact Mass: 2206.75
• IUPAC Name: 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
• SMILES: C.CN1CCc2c(c(-c3ccc4nc(N)sc4c3)nc3ccc4c(c23)C=NC4)C1.Cc1[nH]ncc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CNCC2.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[nH]ncc1-c1cc(C2CCCCC2)c2c(ccc3[nH]ncc32)n1.[H]/N=C/c1c(C)ccc2nc(C3=CCN=C3C(F)(F)F)c3c(c12)CCOC3
• InChI: InChI=1S/C22H19N5S.C20H12F3N5.C20H18F3N5.C19H16F3N3O.C19H12N4O2S.C17H15FN6.CH4/c1-27-7-6-14-16(11-27)21(12-2-4-17-19(8-12)28-22(23)26-17)25-18-5-3-13-9-24-10-15(13)20(14)18;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;1-10-2-3-15-16(13(10)8-23)11-5-7-26-9-14(11)17(25-15)12-4-6-24-18(12)19(20,21)22;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;1-8-10(6-20-23-8)16-11-5-19-3-2-9(11)15-12-7-21-24-14(12)4-13(18)17(15)22-16;/h2-5,8,10H,6-7,9,11H2,1H3,(H2,23,26);1-7,9-10H,8H2,(H,26,28);6-11H,1-5H2,(H,24,27)(H,25,28);2-4,8,23H,5-7,9H2,1H3;2-8H,1H3,(H,20,23)(H,24,25);4,6-7,19H,2-3,5H2,1H3,(H,20,23)(H,21,24);1H4/b;;;23-8+
• InChIKey: BCOGIEDKOZJDLP-YUDBNVNSSA-N
• XLogP: 25.79
• TPSA: 436.84 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2208.37
LogP ≤ 5	25.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

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-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?

The IUPAC name of 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) is 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.

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-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?

The canonical SMILES for 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 is C.CN1CCc2c(c(-c3ccc4nc(N)sc4c3)nc3ccc4c(c23)C=NC4)C1.Cc1[nH]ncc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CNCC2.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[nH]ncc1-c1cc(C2CCCCC2)c2c(ccc3[nH]ncc32)n1.[H]/N=C/c1c(C)ccc2nc(C3=CCN=C3C(F)(F)F)c3c(c12)CCOC3.

What is the InChIKey of 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?

The InChIKey is BCOGIEDKOZJDLP-YUDBNVNSSA-N. The full InChI is InChI=1S/C22H19N5S.C20H12F3N5.C20H18F3N5.C19H16F3N3O.C19H12N4O2S.C17H15FN6.CH4/c1-27-7-6-14-16(11-27)21(12-2-4-17-19(8-12)28-22(23)26-17)25-18-5-3-13-9-24-10-15(13)20(14)18;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;1-10-2-3-15-16(13(10)8-23)11-5-7-26-9-14(11)17(25-15)12-4-6-24-18(12)19(20,21)22;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;1-8-10(6-20-23-8)16-11-5-19-3-2-9(11)15-12-7-21-24-14(12)4-13(18)17(15)22-16;/h2-5,8,10H,6-7,9,11H2,1H3,(H2,23,26);1-7,9-10H,8H2,(H,26,28);6-11H,1-5H2,(H,24,27)(H,25,28);2-4,8,23H,5-7,9H2,1H3;2-8H,1H3,(H,20,23)(H,24,25);4,6-7,19H,2-3,5H2,1H3,(H,20,23)(H,21,24);1H4/b;;;23-8+;;;.

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-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?

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 has a molecular weight of 2208.37 g/mol, XLogP of 25.79, 10 rotatable bonds, 10 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-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 is sourced from PubChem (CID 163445994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).