[3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C105H87F7N20O9 — CID 158342539

IUPAC[3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCOc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c(OC)c1.COc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c1.COc1ccccc1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.OCc1ccn2c(-c3ccnc(NCc4ccccc4OC(F)(F)F)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H24FN5O3.C26H19F4N5O2.2C26H22FN5O2/c1-35-21-8-5-19(23(14-21)36-2)15-30-27-29-11-9-22(31-27)26-25(18-3-6-20(28)7-4-18)32-24-13-17(16-34)10-12-33(24)26;27-19-7-5-17(6-8-19)23-24(35-12-10-16(15-36)13-22(35)34-23)20-9-11-31-25(33-20)32-14-18-3-1-2-4-21(18)37-26(28,29)30;1-34-21-4-2-3-17(13-21)15-29-26-28-11-9-22(30-26)25-24(19-5-7-20(27)8-6-19)31-23-14-18(16-33)10-12-32(23)25;1-34-22-5-3-2-4-19(22)15-29-26-28-12-10-21(30-26)25-24(18-6-8-20(27)9-7-18)31-23-14-17(16-33)11-13-32(23)25/h3-14,34H,15-16H2,1-2H3,(H,29,30,31);1-13,36H,14-15H2,(H,31,32,33);2*2-14,33H,15-16H2,1H3,(H,28,29,30)
InChIKeyGRIIEHUHHCAXSE-UHFFFAOYSA-N
MW1905.97 g/mol
LogP19.74
Rot. Bonds29

About [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 158342539) has the molecular formula C105H87F7N20O9 and a molecular weight of 1905.97 g/mol. Its IUPAC name is [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID158342539
Molecular FormulaC105H87F7N20O9
Molecular Weight1905.97 g/mol
Exact Mass1904.69
IUPAC Name[3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCOc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c(OC)c1.COc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c1.COc1ccccc1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.OCc1ccn2c(-c3ccnc(NCc4ccccc4OC(F)(F)F)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H24FN5O3.C26H19F4N5O2.2C26H22FN5O2/c1-35-21-8-5-19(23(14-21)36-2)15-30-27-29-11-9-22(31-27)26-25(18-3-6-20(28)7-4-18)32-24-13-17(16-34)10-12-33(24)26;27-19-7-5-17(6-8-19)23-24(35-12-10-16(15-36)13-22(35)34-23)20-9-11-31-25(33-20)32-14-18-3-1-2-4-21(18)37-26(28,29)30;1-34-21-4-2-3-17(13-21)15-29-26-28-11-9-22(30-26)25-24(19-5-7-20(27)8-6-19)31-23-14-18(16-33)10-12-32(23)25;1-34-22-5-3-2-4-19(22)15-29-26-28-12-10-21(30-26)25-24(18-6-8-20(27)9-7-18)31-23-14-17(16-33)11-13-32(23)25/h3-14,34H,15-16H2,1-2H3,(H,29,30,31);1-13,36H,14-15H2,(H,31,32,33);2*2-14,33H,15-16H2,1H3,(H,28,29,30)
InChIKeyGRIIEHUHHCAXSE-UHFFFAOYSA-N
XLogP19.74
TPSA347.51 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms141
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001905.97
LogP ≤ 519.74
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 158342539) is [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is COc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c(OC)c1.COc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c1.COc1ccccc1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.OCc1ccn2c(-c3ccnc(NCc4ccccc4OC(F)(F)F)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is GRIIEHUHHCAXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3.C26H19F4N5O2.2C26H22FN5O2/c1-35-21-8-5-19(23(14-21)36-2)15-30-27-29-11-9-22(31-27)26-25(18-3-6-20(28)7-4-18)32-24-13-17(16-34)10-12-33(24)26;27-19-7-5-17(6-8-19)23-24(35-12-10-16(15-36)13-22(35)34-23)20-9-11-31-25(33-20)32-14-18-3-1-2-4-21(18)37-26(28,29)30;1-34-21-4-2-3-17(13-21)15-29-26-28-11-9-22(30-26)25-24(19-5-7-20(27)8-6-19)31-23-14-18(16-33)10-12-32(23)25;1-34-22-5-3-2-4-19(22)15-29-26-28-12-10-21(30-26)25-24(18-6-8-20(27)9-7-18)31-23-14-17(16-33)11-13-32(23)25/h3-14,34H,15-16H2,1-2H3,(H,29,30,31);1-13,36H,14-15H2,(H,31,32,33);2*2-14,33H,15-16H2,1H3,(H,28,29,30).
What are the key properties of [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 1905.97 g/mol, XLogP of 19.74, 29 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 158342539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).