N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

C104H93F7N22O2 — CID 158846659

IUPACN-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILESCCc1ccn2c(-c3ccnc(N4CCOCC4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4cc(F)ccc4F)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
InChIInChI=1S/C28H27FN6O.C27H24F2N6.C26H20F3N5.C23H22FN5O/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;1-34(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;1-2-16-10-12-34-23(13-16)33-24(17-3-5-19(27)6-4-17)25(34)22-9-11-30-26(32-22)31-15-18-14-20(28)7-8-21(18)29;1-2-16-8-10-29-20(15-16)27-21(17-3-5-18(24)6-4-17)22(29)19-7-9-25-23(26-19)28-11-13-30-14-12-28/h4-16H,17-18H2,1-3H3,(H,30,31,32);3-15H,16-17H2,1-2H3,(H,30,31,32);3-14H,2,15H2,1H3,(H,30,31,32);3-10,15H,2,11-14H2,1H3
InChIKeyIYXNBHBJLYELFS-UHFFFAOYSA-N
MW1816.03 g/mol
LogP20.74
Rot. Bonds25

About N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 158846659) has the molecular formula C104H93F7N22O2 and a molecular weight of 1816.03 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
PubChem CID158846659
Molecular FormulaC104H93F7N22O2
Molecular Weight1816.03 g/mol
Exact Mass1814.77
IUPAC NameN-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILESCCc1ccn2c(-c3ccnc(N4CCOCC4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4cc(F)ccc4F)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
InChIInChI=1S/C28H27FN6O.C27H24F2N6.C26H20F3N5.C23H22FN5O/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;1-34(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;1-2-16-10-12-34-23(13-16)33-24(17-3-5-19(27)6-4-17)25(34)22-9-11-30-26(32-22)31-15-18-14-20(28)7-8-21(18)29;1-2-16-8-10-29-20(15-16)27-21(17-3-5-18(24)6-4-17)22(29)19-7-9-25-23(26-19)28-11-13-30-14-12-28/h4-16H,17-18H2,1-3H3,(H,30,31,32);3-15H,16-17H2,1-2H3,(H,30,31,32);3-14H,2,15H2,1H3,(H,30,31,32);3-10,15H,2,11-14H2,1H3
InChIKeyIYXNBHBJLYELFS-UHFFFAOYSA-N
XLogP20.74
TPSA236.59 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001816.03
LogP ≤ 520.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine with MolForge

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Related Compounds

4-[5-[4-[4-[5-(3-fluoro-4-methoxy-phenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413822
4-[5-[4-[4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413933
4-[5-[4-[4-[5-(3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413994
US10703755, Example 55
CID 138700761
4-[5-[4-[4-[5-(3-methoxyphenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118414247
N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117085786
N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 10299538
2-Ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine
CID 57118194
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine
CID 58824308
2-[[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide
CID 58824438
[2-(4-Fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824604
4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine
CID 58824620

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (CID 158846659) is N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is CCc1ccn2c(-c3ccnc(N4CCOCC4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4cc(F)ccc4F)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.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The InChIKey is IYXNBHBJLYELFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O.C27H24F2N6.C26H20F3N5.C23H22FN5O/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;1-34(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;1-2-16-10-12-34-23(13-16)33-24(17-3-5-19(27)6-4-17)25(34)22-9-11-30-26(32-22)31-15-18-14-20(28)7-8-21(18)29;1-2-16-8-10-29-20(15-16)27-21(17-3-5-18(24)6-4-17)22(29)19-7-9-25-23(26-19)28-11-13-30-14-12-28/h4-16H,17-18H2,1-3H3,(H,30,31,32);3-15H,16-17H2,1-2H3,(H,30,31,32);3-14H,2,15H2,1H3,(H,30,31,32);3-10,15H,2,11-14H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 1816.03 g/mol, XLogP of 20.74, 25 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-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-[(2-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-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 158846659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).