N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide

C118H94BrF5N16O9S — CID 158649987

IUPACN-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide
SMILESCC(=O)Cc1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1.CC(=O)N(C)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1.CS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1.O=C(NCc1cccc(Br)c1)c1cccc2c1cnn2-c1ccc(F)cc1.O=C(NCc1ccccc1-c1ccccc1)c1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C27H20FN3O.C24H21FN4O2.C24H20FN3O2.C22H18FN3O3S.C21H15BrFN3O/c28-21-13-15-22(16-14-21)31-26-12-6-11-24(25(26)18-30-31)27(32)29-17-20-9-4-5-10-23(20)19-7-2-1-3-8-19;1-16(30)28(2)20-6-3-5-17(13-20)14-26-24(31)21-7-4-8-23-22(21)15-27-29(23)19-11-9-18(25)10-12-19;1-16(29)12-17-4-2-5-18(13-17)14-26-24(30)21-6-3-7-23-22(21)15-27-28(23)20-10-8-19(25)9-11-20;1-30(28,29)18-11-5-15(6-12-18)13-24-22(27)19-3-2-4-21-20(19)14-25-26(21)17-9-7-16(23)8-10-17;22-15-4-1-3-14(11-15)12-24-21(27)18-5-2-6-20-19(18)13-25-26(20)17-9-7-16(23)8-10-17/h1-16,18H,17H2,(H,29,32);3-13,15H,14H2,1-2H3,(H,26,31);2-11,13,15H,12,14H2,1H3,(H,26,30);2-12,14H,13H2,1H3,(H,24,27);1-11,13H,12H2,(H,24,27)
InChIKeyIBKVGIIOXXYCDR-UHFFFAOYSA-N
MW2087.11 g/mol
LogP22.42
Rot. Bonds25

About N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide

N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide (PubChem CID 158649987) has the molecular formula C118H94BrF5N16O9S and a molecular weight of 2087.11 g/mol. Its IUPAC name is N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide
PubChem CID158649987
Molecular FormulaC118H94BrF5N16O9S
Molecular Weight2087.11 g/mol
Exact Mass2084.62
IUPAC NameN-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide
SMILESCC(=O)Cc1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1.CC(=O)N(C)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1.CS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1.O=C(NCc1cccc(Br)c1)c1cccc2c1cnn2-c1ccc(F)cc1.O=C(NCc1ccccc1-c1ccccc1)c1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C27H20FN3O.C24H21FN4O2.C24H20FN3O2.C22H18FN3O3S.C21H15BrFN3O/c28-21-13-15-22(16-14-21)31-26-12-6-11-24(25(26)18-30-31)27(32)29-17-20-9-4-5-10-23(20)19-7-2-1-3-8-19;1-16(30)28(2)20-6-3-5-17(13-20)14-26-24(31)21-7-4-8-23-22(21)15-27-29(23)19-11-9-18(25)10-12-19;1-16(29)12-17-4-2-5-18(13-17)14-26-24(30)21-6-3-7-23-22(21)15-27-28(23)20-10-8-19(25)9-11-20;1-30(28,29)18-11-5-15(6-12-18)13-24-22(27)19-3-2-4-21-20(19)14-25-26(21)17-9-7-16(23)8-10-17;22-15-4-1-3-14(11-15)12-24-21(27)18-5-2-6-20-19(18)13-25-26(20)17-9-7-16(23)8-10-17/h1-16,18H,17H2,(H,29,32);3-13,15H,14H2,1-2H3,(H,26,31);2-11,13,15H,12,14H2,1H3,(H,26,30);2-12,14H,13H2,1H3,(H,24,27);1-11,13H,12H2,(H,24,27)
InChIKeyIBKVGIIOXXYCDR-UHFFFAOYSA-N
XLogP22.42
TPSA306.12 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002087.11
LogP ≤ 522.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide?
The IUPAC name of N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide (CID 158649987) is N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide.
What is the SMILES notation for N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide?
The canonical SMILES for N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide is CC(=O)Cc1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1.CC(=O)N(C)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1.CS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1.O=C(NCc1cccc(Br)c1)c1cccc2c1cnn2-c1ccc(F)cc1.O=C(NCc1ccccc1-c1ccccc1)c1cccc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide?
The InChIKey is IBKVGIIOXXYCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O.C24H21FN4O2.C24H20FN3O2.C22H18FN3O3S.C21H15BrFN3O/c28-21-13-15-22(16-14-21)31-26-12-6-11-24(25(26)18-30-31)27(32)29-17-20-9-4-5-10-23(20)19-7-2-1-3-8-19;1-16(30)28(2)20-6-3-5-17(13-20)14-26-24(31)21-7-4-8-23-22(21)15-27-29(23)19-11-9-18(25)10-12-19;1-16(29)12-17-4-2-5-18(13-17)14-26-24(30)21-6-3-7-23-22(21)15-27-28(23)20-10-8-19(25)9-11-20;1-30(28,29)18-11-5-15(6-12-18)13-24-22(27)19-3-2-4-21-20(19)14-25-26(21)17-9-7-16(23)8-10-17;22-15-4-1-3-14(11-15)12-24-21(27)18-5-2-6-20-19(18)13-25-26(20)17-9-7-16(23)8-10-17/h1-16,18H,17H2,(H,29,32);3-13,15H,14H2,1-2H3,(H,26,31);2-11,13,15H,12,14H2,1H3,(H,26,30);2-12,14H,13H2,1H3,(H,24,27);1-11,13H,12H2,(H,24,27).
What are the key properties of N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide?
N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide has a molecular weight of 2087.11 g/mol, XLogP of 22.42, 25 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(2-oxopropyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide is sourced from PubChem (CID 158649987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).