N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol

C97H98F4N16O7S — CID 162166620

IUPACN-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CC(=O)NC5CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)c2F)C1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OCCN(C)C)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4ccccc4OCCO)n3)ccc2[nH]1
InChIInChI=1S/C25H24FN5O.C25H27FN4O.C24H25FN4O3S.C23H22FN3O2/c1-15-11-17-5-8-21(24(26)20(17)12-15)30-22-9-10-27-25(31-22)29-19-4-2-3-16(13-19)14-23(32)28-18-6-7-18;1-17-13-22-23(28-17)8-7-19(25(22)26)16-20-9-10-27-24(29-20)15-18-5-4-6-21(14-18)31-12-11-30(2)3;1-16-13-17-7-8-21(23(25)20(17)14-16)28-22-9-10-26-24(29-22)27-18-5-3-6-19(15-18)32-11-4-12-33(2,30)31;1-15-12-19-20(26-15)7-6-17(23(19)24)13-18-8-9-25-22(27-18)14-16-4-2-3-5-21(16)29-11-10-28/h2-5,8-10,12-13,18H,6-7,11,14H2,1H3,(H,28,32)(H2,27,29,30,31);4-10,13-14,28H,11-12,15-16H2,1-3H3;3,5-10,14-15H,4,11-13H2,1-2H3,(H2,26,27,28,29);2-9,12,26,28H,10-11,13-14H2,1H3
InChIKeyZNFIKBXNHUCCMD-UHFFFAOYSA-N
MW1708.01 g/mol
LogP18.24
Rot. Bonds31

About N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol

N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol (PubChem CID 162166620) has the molecular formula C97H98F4N16O7S and a molecular weight of 1708.01 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol
PubChem CID162166620
Molecular FormulaC97H98F4N16O7S
Molecular Weight1708.01 g/mol
Exact Mass1706.75
IUPAC NameN-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CC(=O)NC5CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)c2F)C1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OCCN(C)C)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4ccccc4OCCO)n3)ccc2[nH]1
InChIInChI=1S/C25H24FN5O.C25H27FN4O.C24H25FN4O3S.C23H22FN3O2/c1-15-11-17-5-8-21(24(26)20(17)12-15)30-22-9-10-27-25(31-22)29-19-4-2-3-16(13-19)14-23(32)28-18-6-7-18;1-17-13-22-23(28-17)8-7-19(25(22)26)16-20-9-10-27-24(29-20)15-18-5-4-6-21(14-18)31-12-11-30(2)3;1-16-13-17-7-8-21(23(25)20(17)14-16)28-22-9-10-26-24(29-22)27-18-5-3-6-19(15-18)32-11-4-12-33(2,30)31;1-15-12-19-20(26-15)7-6-17(23(19)24)13-18-8-9-25-22(27-18)14-16-4-2-3-5-21(16)29-11-10-28/h2-5,8-10,12-13,18H,6-7,11,14H2,1H3,(H,28,32)(H2,27,29,30,31);4-10,13-14,28H,11-12,15-16H2,1-3H3;3,5-10,14-15H,4,11-13H2,1-2H3,(H2,26,27,28,29);2-9,12,26,28H,10-11,13-14H2,1H3
InChIKeyZNFIKBXNHUCCMD-UHFFFAOYSA-N
XLogP18.24
TPSA297.22 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001708.01
LogP ≤ 518.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol with MolForge

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Related Compounds

CID 157490184
CID 157490184
N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]-1-morpholin-4-ylprop-2-en-1-one;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide
CID 158182040
(E)-N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;3-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylpropan-1-one;2-[1-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]ethanol;2-methyl-5-[2-[[3-(methylsulfonylmethyl)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
CID 157385006
2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-fluoro-2-methyl-5-[[2-[[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 157706165
2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidin-2-amine;1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 158008900
N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol
CID 158532554
tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 158611228
CID 158756616
CID 158756616
4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide
CID 158793348
N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
CID 158878226
[4-[4-[[4-[4-(3-methylsulfonylpropoxy)-1H-inden-1-yl]pyrimidin-2-yl]amino]cyclohexanecarbonyl]cyclohexyl] (2R)-2-amino-3-methylbutanoate;[1-[4-[[4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-yl]amino]cyclohexanecarbonyl]piperidin-4-yl] (2R,3S)-2-amino-3-methylpentanoate;4-[1-[4-[[4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-yl]amino]cyclohexanecarbonyl]piperidin-4-yl]oxy-4-oxobutanoic acid
CID 159087330
4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
CID 159097364

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol?
The IUPAC name of N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol (CID 162166620) is N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol?
The canonical SMILES for N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol is CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CC(=O)NC5CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)c2F)C1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OCCN(C)C)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4ccccc4OCCO)n3)ccc2[nH]1.
What is the InChIKey of N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol?
The InChIKey is ZNFIKBXNHUCCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O.C25H27FN4O.C24H25FN4O3S.C23H22FN3O2/c1-15-11-17-5-8-21(24(26)20(17)12-15)30-22-9-10-27-25(31-22)29-19-4-2-3-16(13-19)14-23(32)28-18-6-7-18;1-17-13-22-23(28-17)8-7-19(25(22)26)16-20-9-10-27-24(29-20)15-18-5-4-6-21(14-18)31-12-11-30(2)3;1-16-13-17-7-8-21(23(25)20(17)14-16)28-22-9-10-26-24(29-22)27-18-5-3-6-19(15-18)32-11-4-12-33(2,30)31;1-15-12-19-20(26-15)7-6-17(23(19)24)13-18-8-9-25-22(27-18)14-16-4-2-3-5-21(16)29-11-10-28/h2-5,8-10,12-13,18H,6-7,11,14H2,1H3,(H,28,32)(H2,27,29,30,31);4-10,13-14,28H,11-12,15-16H2,1-3H3;3,5-10,14-15H,4,11-13H2,1-2H3,(H2,26,27,28,29);2-9,12,26,28H,10-11,13-14H2,1H3.
What are the key properties of N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol?
N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol has a molecular weight of 1708.01 g/mol, XLogP of 18.24, 31 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 162166620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).