1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol

C73H54F12N12O7S — CID 160653996

IUPAC1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol
SMILESCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc(N)c21.Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc(NS(C)(=O)=O)c21.Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc([N+](=O)[O-])c21
InChIInChI=1S/C25H20F4N4O3S.C24H16F4N4O3.C24H18F4N4O/c1-32-14-20(19-4-3-5-21(23(19)32)31-37(2,35)36)24(34,25(27,28)29)16-6-11-22-15(12-16)13-30-33(22)18-9-7-17(26)8-10-18;1-30-13-19(18-3-2-4-21(22(18)30)32(34)35)23(33,24(26,27)28)15-5-10-20-14(11-15)12-29-31(20)17-8-6-16(25)7-9-17;1-31-13-19(18-3-2-4-20(29)22(18)31)23(33,24(26,27)28)15-5-10-21-14(11-15)12-30-32(21)17-8-6-16(25)7-9-17/h3-14,31,34H,1-2H3;2-13,33H,1H3;2-13,33H,29H2,1H3
InChIKeyRKUMZTAMYKDVMR-UHFFFAOYSA-N
MW1471.35 g/mol
LogP15.23
Rot. Bonds12

About 1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol

1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol (PubChem CID 160653996) has the molecular formula C73H54F12N12O7S and a molecular weight of 1471.35 g/mol. Its IUPAC name is 1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol
PubChem CID160653996
Molecular FormulaC73H54F12N12O7S
Molecular Weight1471.35 g/mol
Exact Mass1470.38
IUPAC Name1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol
SMILESCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc(N)c21.Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc(NS(C)(=O)=O)c21.Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc([N+](=O)[O-])c21
InChIInChI=1S/C25H20F4N4O3S.C24H16F4N4O3.C24H18F4N4O/c1-32-14-20(19-4-3-5-21(23(19)32)31-37(2,35)36)24(34,25(27,28)29)16-6-11-22-15(12-16)13-30-33(22)18-9-7-17(26)8-10-18;1-30-13-19(18-3-2-4-21(22(18)30)32(34)35)23(33,24(26,27)28)15-5-10-20-14(11-15)12-29-31(20)17-8-6-16(25)7-9-17;1-31-13-19(18-3-2-4-20(29)22(18)31)23(33,24(26,27)28)15-5-10-21-14(11-15)12-30-32(21)17-8-6-16(25)7-9-17/h3-14,31,34H,1-2H3;2-13,33H,1H3;2-13,33H,29H2,1H3
InChIKeyRKUMZTAMYKDVMR-UHFFFAOYSA-N
XLogP15.23
TPSA244.27 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001471.35
LogP ≤ 515.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol with MolForge

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Related Compounds

2,2,2-Trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol
CID 57943331
1,1,1-Trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitroindol-1-yl)propan-2-ol
CID 57943337
N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide
CID 57943474
1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol
CID 91320323
N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide
CID 143371980
2-Fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol
CID 152513511
2-[4-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[(5-pyrazin-2-yl-2,3-dihydroindol-1-yl)methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[(5-pyridin-2-yl-2,3-dihydroindol-1-yl)methyl]phenyl]propan-2-ol
CID 157098386

Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol?
The IUPAC name of 1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol (CID 160653996) is 1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol.
What is the SMILES notation for 1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol?
The canonical SMILES for 1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol is Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc(N)c21.Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc(NS(C)(=O)=O)c21.Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc([N+](=O)[O-])c21.
What is the InChIKey of 1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol?
The InChIKey is RKUMZTAMYKDVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O3S.C24H16F4N4O3.C24H18F4N4O/c1-32-14-20(19-4-3-5-21(23(19)32)31-37(2,35)36)24(34,25(27,28)29)16-6-11-22-15(12-16)13-30-33(22)18-9-7-17(26)8-10-18;1-30-13-19(18-3-2-4-21(22(18)30)32(34)35)23(33,24(26,27)28)15-5-10-20-14(11-15)12-29-31(20)17-8-6-16(25)7-9-17;1-31-13-19(18-3-2-4-20(29)22(18)31)23(33,24(26,27)28)15-5-10-21-14(11-15)12-30-32(21)17-8-6-16(25)7-9-17/h3-14,31,34H,1-2H3;2-13,33H,1H3;2-13,33H,29H2,1H3.
What are the key properties of 1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol?
1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol has a molecular weight of 1471.35 g/mol, XLogP of 15.23, 12 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-1-methylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;N-[1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-7-nitroindol-3-yl)ethanol is sourced from PubChem (CID 160653996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).