N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine

C107H107F4N31S — CID 159055049

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1)c1nc2ccccc2[nH]1.Cc1c(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cnn1C.Cc1nc(C(C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cs1.Cc1nn(C)cc1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C29H27FN8.2C26H27FN8.C26H26FN7S/c1-18(28-33-22-6-4-5-7-23(22)34-28)32-29-31-14-12-24(35-29)27-26(20-8-10-21(30)11-9-20)36-25-16-19(17-37(2)3)13-15-38(25)27;1-17-20(15-30-34(17)4)14-29-26-28-11-9-22(31-26)25-24(19-5-7-21(27)8-6-19)32-23-13-18(16-33(2)3)10-12-35(23)25;1-17-20(16-34(4)32-17)14-29-26-28-11-9-22(30-26)25-24(19-5-7-21(27)8-6-19)31-23-13-18(15-33(2)3)10-12-35(23)25;1-16(22-15-35-17(2)30-22)29-26-28-11-9-21(31-26)25-24(19-5-7-20(27)8-6-19)32-23-13-18(14-33(3)4)10-12-34(23)25/h4-16,18H,17H2,1-3H3,(H,33,34)(H,31,32,35);5-13,15H,14,16H2,1-4H3,(H,28,29,31);5-13,16H,14-15H2,1-4H3,(H,28,29,30);5-13,15-16H,14H2,1-4H3,(H,28,29,31)
InChIKeyJXTDLKRGACWBDW-UHFFFAOYSA-N
MW1935.31 g/mol
LogP19.93
Rot. Bonds28

About N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 159055049) has the molecular formula C107H107F4N31S and a molecular weight of 1935.31 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
PubChem CID159055049
Molecular FormulaC107H107F4N31S
Molecular Weight1935.31 g/mol
Exact Mass1933.90
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1)c1nc2ccccc2[nH]1.Cc1c(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cnn1C.Cc1nc(C(C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cs1.Cc1nn(C)cc1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C29H27FN8.2C26H27FN8.C26H26FN7S/c1-18(28-33-22-6-4-5-7-23(22)34-28)32-29-31-14-12-24(35-29)27-26(20-8-10-21(30)11-9-20)36-25-16-19(17-37(2)3)13-15-38(25)27;1-17-20(15-30-34(17)4)14-29-26-28-11-9-22(31-26)25-24(19-5-7-21(27)8-6-19)32-23-13-18(16-33(2)3)10-12-35(23)25;1-17-20(16-34(4)32-17)14-29-26-28-11-9-22(30-26)25-24(19-5-7-21(27)8-6-19)31-23-13-18(15-33(2)3)10-12-35(23)25;1-16(22-15-35-17(2)30-22)29-26-28-11-9-21(31-26)25-24(19-5-7-20(27)8-6-19)32-23-13-18(14-33(3)4)10-12-34(23)25/h4-16,18H,17H2,1-3H3,(H,33,34)(H,31,32,35);5-13,15H,14,16H2,1-4H3,(H,28,29,31);5-13,16H,14-15H2,1-4H3,(H,28,29,30);5-13,15-16H,14H2,1-4H3,(H,28,29,31)
InChIKeyJXTDLKRGACWBDW-UHFFFAOYSA-N
XLogP19.93
TPSA310.61 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001935.31
LogP ≤ 519.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine with MolForge

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Related Compounds

2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-[[3-[7-(5-fluorothiophen-2-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137024832
5-[7-[2-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorothiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]pyridin-3-amine
CID 137108100
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 145664888
3-[(3R)-3-[[1-[(5R)-1-(2-cyanoacetyl)-5-[[1-[(5R)-1-(2-cyanoacetyl)-5-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-3-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-3-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 155258748
[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 157098807
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 157653295
1H-benzimidazole;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;1H-imidazole;isoquinoline;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;1,2,4-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine
CID 157705336
4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methyl-3H-benzimidazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158248038
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 158435881
di(imidazol-1-yl)methanethione;5-[2-[(1-ethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-amine;5-[2-[(1-ethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine;4-(trifluoromethyl)benzene-1,2-diamine;trihydrochloride
CID 158501587
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 158953793

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine (CID 159055049) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine is CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1)c1nc2ccccc2[nH]1.Cc1c(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cnn1C.Cc1nc(C(C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cs1.Cc1nn(C)cc1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is JXTDLKRGACWBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN8.2C26H27FN8.C26H26FN7S/c1-18(28-33-22-6-4-5-7-23(22)34-28)32-29-31-14-12-24(35-29)27-26(20-8-10-21(30)11-9-20)36-25-16-19(17-37(2)3)13-15-38(25)27;1-17-20(15-30-34(17)4)14-29-26-28-11-9-22(31-26)25-24(19-5-7-21(27)8-6-19)32-23-13-18(16-33(2)3)10-12-35(23)25;1-17-20(16-34(4)32-17)14-29-26-28-11-9-22(30-26)25-24(19-5-7-21(27)8-6-19)31-23-13-18(15-33(2)3)10-12-35(23)25;1-16(22-15-35-17(2)30-22)29-26-28-11-9-21(31-26)25-24(19-5-7-20(27)8-6-19)32-23-13-18(14-33(3)4)10-12-34(23)25/h4-16,18H,17H2,1-3H3,(H,33,34)(H,31,32,35);5-13,15H,14,16H2,1-4H3,(H,28,29,31);5-13,16H,14-15H2,1-4H3,(H,28,29,30);5-13,15-16H,14H2,1-4H3,(H,28,29,31).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 1935.31 g/mol, XLogP of 19.93, 28 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 159055049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).