N,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide

C85H89F9N14O8S3 — CID 158266348

IUPACN,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESC.C.C.CCN(CC)CC.Cc1[nH]nc2ccc(-c3cc(N4CCN(Cc5cccnc5)CC4)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(-c3cc(O)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(-c3cc(OS(=O)(=O)C(F)(F)F)cnc3-c3ccccc3)cc12.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C29H28N6.C20H14F3N3O3S.C19H15N3O.C8H5F6NO4S2.C6H15N.3CH4/c1-21-26-16-24(9-10-28(26)33-32-21)27-17-25(19-31-29(27)23-7-3-2-4-8-23)35-14-12-34(13-15-35)20-22-6-5-11-30-18-22;1-12-16-9-14(7-8-18(16)26-25-12)17-10-15(29-30(27,28)20(21,22)23)11-24-19(17)13-5-3-2-4-6-13;1-12-16-9-14(7-8-18(16)22-21-12)17-10-15(23)11-20-19(17)13-5-3-2-4-6-13;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;1-4-7(5-2)6-3;;;/h2-11,16-19H,12-15,20H2,1H3,(H,32,33);2-11H,1H3,(H,25,26);2-11,23H,1H3,(H,21,22);1-5H;4-6H2,1-3H3;3*1H4
InChIKeyGIMHRQOBMWQOEI-UHFFFAOYSA-N
MW1701.92 g/mol
LogP19.90
Rot. Bonds17

About N,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide

N,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 158266348) has the molecular formula C85H89F9N14O8S3 and a molecular weight of 1701.92 g/mol. Its IUPAC name is N,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound NameN,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID158266348
Molecular FormulaC85H89F9N14O8S3
Molecular Weight1701.92 g/mol
Exact Mass1700.60
IUPAC NameN,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESC.C.C.CCN(CC)CC.Cc1[nH]nc2ccc(-c3cc(N4CCN(Cc5cccnc5)CC4)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(-c3cc(O)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(-c3cc(OS(=O)(=O)C(F)(F)F)cnc3-c3ccccc3)cc12.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C29H28N6.C20H14F3N3O3S.C19H15N3O.C8H5F6NO4S2.C6H15N.3CH4/c1-21-26-16-24(9-10-28(26)33-32-21)27-17-25(19-31-29(27)23-7-3-2-4-8-23)35-14-12-34(13-15-35)20-22-6-5-11-30-18-22;1-12-16-9-14(7-8-18(16)26-25-12)17-10-15(29-30(27,28)20(21,22)23)11-24-19(17)13-5-3-2-4-6-13;1-12-16-9-14(7-8-18(16)22-21-12)17-10-15(23)11-20-19(17)13-5-3-2-4-6-13;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;1-4-7(5-2)6-3;;;/h2-11,16-19H,12-15,20H2,1H3,(H,32,33);2-11H,1H3,(H,25,26);2-11,23H,1H3,(H,21,22);1-5H;4-6H2,1-3H3;3*1H4
InChIKeyGIMHRQOBMWQOEI-UHFFFAOYSA-N
XLogP19.90
TPSA282.44 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001701.92
LogP ≤ 519.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze N,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137033383
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137037967
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137039641
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137112367
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide
CID 137113316
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137114216
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide
CID 137114384
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide
CID 137115548
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137280496
5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 158185340
isoquinolin-7-ol;isoquinolin-7-yl trifluoromethanesulfonate;7-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline
CID 159288010
tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate
CID 159565762

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of N,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 158266348) is N,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for N,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for N,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide is C.C.C.CCN(CC)CC.Cc1[nH]nc2ccc(-c3cc(N4CCN(Cc5cccnc5)CC4)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(-c3cc(O)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(-c3cc(OS(=O)(=O)C(F)(F)F)cnc3-c3ccccc3)cc12.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is GIMHRQOBMWQOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6.C20H14F3N3O3S.C19H15N3O.C8H5F6NO4S2.C6H15N.3CH4/c1-21-26-16-24(9-10-28(26)33-32-21)27-17-25(19-31-29(27)23-7-3-2-4-8-23)35-14-12-34(13-15-35)20-22-6-5-11-30-18-22;1-12-16-9-14(7-8-18(16)26-25-12)17-10-15(29-30(27,28)20(21,22)23)11-24-19(17)13-5-3-2-4-6-13;1-12-16-9-14(7-8-18(16)22-21-12)17-10-15(23)11-20-19(17)13-5-3-2-4-6-13;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;1-4-7(5-2)6-3;;;/h2-11,16-19H,12-15,20H2,1H3,(H,32,33);2-11H,1H3,(H,25,26);2-11,23H,1H3,(H,21,22);1-5H;4-6H2,1-3H3;3*1H4.
What are the key properties of N,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
N,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 1701.92 g/mol, XLogP of 19.90, 17 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;3-methyl-5-[2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2H-indazole;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 158266348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).