[3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine

C135H120F9N29O2 — CID 159764334

IUPAC[3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NCc4ccc(F)cc4)n3)c(-c3ccc(F)cc3)nc2c1.CN(C)Cc1ccn2c(-c3ccnc(NCc4ccccc4F)n3)c(-c3ccc(F)cc3)nc2c1.COc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)c1.Cc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)c1.OCc1ccn2c(-c3ccnc(NCc4cc(F)ccc4F)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H27FN6O.C28H27FN6.2C27H24F2N6.C25H18F3N5O/c1-34(2)18-20-12-14-35-25(16-20)33-26(21-7-9-22(29)10-8-21)27(35)24-11-13-30-28(32-24)31-17-19-5-4-6-23(15-19)36-3;1-19-5-4-6-20(15-19)17-31-28-30-13-11-24(32-28)27-26(22-7-9-23(29)10-8-22)33-25-16-21(18-34(2)3)12-14-35(25)27;1-34(2)17-19-12-14-35-24(15-19)33-25(20-5-9-22(29)10-6-20)26(35)23-11-13-30-27(32-23)31-16-18-3-7-21(28)8-4-18;1-34(2)17-18-12-14-35-24(15-18)33-25(19-7-9-21(28)10-8-19)26(35)23-11-13-30-27(32-23)31-16-20-5-3-4-6-22(20)29;26-18-3-1-16(2-4-18)23-24(33-10-8-15(14-34)11-22(33)32-23)21-7-9-29-25(31-21)30-13-17-12-19(27)5-6-20(17)28/h4-16H,17-18H2,1-3H3,(H,30,31,32);4-16H,17-18H2,1-3H3,(H,30,31,32);2*3-15H,16-17H2,1-2H3,(H,30,31,32);1-12,34H,13-14H2,(H,29,30,31)
InChIKeyNFHMTEAKKPHJRY-UHFFFAOYSA-N
MW2351.63 g/mol
LogP26.66
Rot. Bonds35

About [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine

[3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine (PubChem CID 159764334) has the molecular formula C135H120F9N29O2 and a molecular weight of 2351.63 g/mol. Its IUPAC name is [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name[3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
PubChem CID159764334
Molecular FormulaC135H120F9N29O2
Molecular Weight2351.63 g/mol
Exact Mass2350.00
IUPAC Name[3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NCc4ccc(F)cc4)n3)c(-c3ccc(F)cc3)nc2c1.CN(C)Cc1ccn2c(-c3ccnc(NCc4ccccc4F)n3)c(-c3ccc(F)cc3)nc2c1.COc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)c1.Cc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)c1.OCc1ccn2c(-c3ccnc(NCc4cc(F)ccc4F)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H27FN6O.C28H27FN6.2C27H24F2N6.C25H18F3N5O/c1-34(2)18-20-12-14-35-25(16-20)33-26(21-7-9-22(29)10-8-21)27(35)24-11-13-30-28(32-24)31-17-19-5-4-6-23(15-19)36-3;1-19-5-4-6-20(15-19)17-31-28-30-13-11-24(32-28)27-26(22-7-9-23(29)10-8-22)33-25-16-21(18-34(2)3)12-14-35(25)27;1-34(2)17-19-12-14-35-24(15-19)33-25(20-5-9-22(29)10-6-20)26(35)23-11-13-30-27(32-23)31-16-18-3-7-21(28)8-4-18;1-34(2)17-18-12-14-35-24(15-18)33-25(19-7-9-21(28)10-8-19)26(35)23-11-13-30-27(32-23)31-16-20-5-3-4-6-22(20)29;26-18-3-1-16(2-4-18)23-24(33-10-8-15(14-34)11-22(33)32-23)21-7-9-29-25(31-21)30-13-17-12-19(27)5-6-20(17)28/h4-16H,17-18H2,1-3H3,(H,30,31,32);4-16H,17-18H2,1-3H3,(H,30,31,32);2*3-15H,16-17H2,1-2H3,(H,30,31,32);1-12,34H,13-14H2,(H,29,30,31)
InChIKeyNFHMTEAKKPHJRY-UHFFFAOYSA-N
XLogP26.66
TPSA317.97 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds35
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002351.63
LogP ≤ 526.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine with MolForge

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Related Compounds

[2-(4-Fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824604
2-(2,5-Dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
CID 70196666
2-[3-(Fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 118975974
N-(3-fluoro-4-methoxyphenyl)-3-[[11-[(5-fluoro-3-pyridinyl)amino]-3-[[11-[(6-fluoro-2-pyridinyl)amino]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 123428579
3-[8-[5-[2-[[9-Cyclopentyl-8-(2,5-difluoroanilino)purin-2-yl]amino]-5-methoxyphenyl]-2-fluoroanilino]-2-(4-methoxyanilino)purin-9-yl]propan-1-ol
CID 123431786
[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol
CID 138578941
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine;5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)benzonitrile;[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157096462
12-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(piperidin-1-ylmethyl)-3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 157102871
N-(1,3-benzodioxol-5-ylmethyl)-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclohexyl-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2,4-dimethylphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide
CID 157122600
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157197643
2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157293772

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine (CID 159764334) is [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine is CN(C)Cc1ccn2c(-c3ccnc(NCc4ccc(F)cc4)n3)c(-c3ccc(F)cc3)nc2c1.CN(C)Cc1ccn2c(-c3ccnc(NCc4ccccc4F)n3)c(-c3ccc(F)cc3)nc2c1.COc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)c1.Cc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)c1.OCc1ccn2c(-c3ccnc(NCc4cc(F)ccc4F)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is NFHMTEAKKPHJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O.C28H27FN6.2C27H24F2N6.C25H18F3N5O/c1-34(2)18-20-12-14-35-25(16-20)33-26(21-7-9-22(29)10-8-21)27(35)24-11-13-30-28(32-24)31-17-19-5-4-6-23(15-19)36-3;1-19-5-4-6-20(15-19)17-31-28-30-13-11-24(32-28)27-26(22-7-9-23(29)10-8-22)33-25-16-21(18-34(2)3)12-14-35(25)27;1-34(2)17-19-12-14-35-24(15-19)33-25(20-5-9-22(29)10-6-20)26(35)23-11-13-30-27(32-23)31-16-18-3-7-21(28)8-4-18;1-34(2)17-18-12-14-35-24(15-18)33-25(19-7-9-21(28)10-8-19)26(35)23-11-13-30-27(32-23)31-16-20-5-3-4-6-22(20)29;26-18-3-1-16(2-4-18)23-24(33-10-8-15(14-34)11-22(33)32-23)21-7-9-29-25(31-21)30-13-17-12-19(27)5-6-20(17)28/h4-16H,17-18H2,1-3H3,(H,30,31,32);4-16H,17-18H2,1-3H3,(H,30,31,32);2*3-15H,16-17H2,1-2H3,(H,30,31,32);1-12,34H,13-14H2,(H,29,30,31).
What are the key properties of [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine?
[3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 2351.63 g/mol, XLogP of 26.66, 35 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 159764334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).