2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine

C46H40F4N12O3S — CID 158991819

IUPAC2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCN(C)S(=O)(=O)c1ccccc1-c1nc(Nc2n[nH]c3ccc(F)cc23)c2ccccc2n1.Cc1c(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C23H21F3N6O.C23H19FN6O2S/c1-14-19(28-21-16-7-3-5-9-18(16)30-31-21)27-20(29-22(14)32-10-12-33-13-11-32)15-6-2-4-8-17(15)23(24,25)26;1-30(2)33(31,32)20-10-6-4-8-16(20)22-25-18-9-5-3-7-15(18)21(26-22)27-23-17-13-14(24)11-12-19(17)28-29-23/h2-9H,10-13H2,1H3,(H2,27,28,29,30,31);3-13H,1-2H3,(H2,25,26,27,28,29)
InChIKeyJQGHBHOAIDEYTI-UHFFFAOYSA-N
MW916.97 g/mol
LogP9.23
Rot. Bonds9

About 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine

2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 158991819) has the molecular formula C46H40F4N12O3S and a molecular weight of 916.97 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID158991819
Molecular FormulaC46H40F4N12O3S
Molecular Weight916.97 g/mol
Exact Mass916.30
IUPAC Name2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCN(C)S(=O)(=O)c1ccccc1-c1nc(Nc2n[nH]c3ccc(F)cc23)c2ccccc2n1.Cc1c(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C23H21F3N6O.C23H19FN6O2S/c1-14-19(28-21-16-7-3-5-9-18(16)30-31-21)27-20(29-22(14)32-10-12-33-13-11-32)15-6-2-4-8-17(15)23(24,25)26;1-30(2)33(31,32)20-10-6-4-8-16(20)22-25-18-9-5-3-7-15(18)21(26-22)27-23-17-13-14(24)11-12-19(17)28-29-23/h2-9H,10-13H2,1H3,(H2,27,28,29,30,31);3-13H,1-2H3,(H2,25,26,27,28,29)
InChIKeyJQGHBHOAIDEYTI-UHFFFAOYSA-N
XLogP9.23
TPSA182.83 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500916.97
LogP ≤ 59.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine with MolForge

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Related Compounds

2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
CID 59212894
N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide
CID 21015026
N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10116278
2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
CID 59085496
N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 59213016
N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide
CID 158445633
N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
CID 10270349
2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine
CID 20626222
N-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 50898197
N-[6-(1-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 20626488
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine
CID 20626371
N-[5-methyl-4-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-6-yl]-1H-indazol-3-amine
CID 142127979

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine (CID 158991819) is 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine is CN(C)S(=O)(=O)c1ccccc1-c1nc(Nc2n[nH]c3ccc(F)cc23)c2ccccc2n1.Cc1c(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)nc1N1CCOCC1.
What is the InChIKey of 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is JQGHBHOAIDEYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O.C23H19FN6O2S/c1-14-19(28-21-16-7-3-5-9-18(16)30-31-21)27-20(29-22(14)32-10-12-33-13-11-32)15-6-2-4-8-17(15)23(24,25)26;1-30(2)33(31,32)20-10-6-4-8-16(20)22-25-18-9-5-3-7-15(18)21(26-22)27-23-17-13-14(24)11-12-19(17)28-29-23/h2-9H,10-13H2,1H3,(H2,27,28,29,30,31);3-13H,1-2H3,(H2,25,26,27,28,29).
What are the key properties of 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 916.97 g/mol, XLogP of 9.23, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 158991819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).