4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one

C76H70F4N18O6 — CID 159695780

About 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one

4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one (PubChem CID 159695780) has the molecular formula C76H70F4N18O6 and a molecular weight of 1407.51 g/mol. Its IUPAC name is 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one
• PubChem CID: 159695780
• Molecular Formula: C76H70F4N18O6
• Molecular Weight: 1407.51 g/mol
• Exact Mass: 1406.57
• IUPAC Name: 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one
• SMILES: O=C1NCc2c(-c3cnc4c(F)cccn34)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c21.O=C1NCc2c(-c3cnc4ccc(C(F)(F)F)cn34)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c21.O=C1NCc2c(-c3cnn4ccccc34)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c21
• InChI: InChI=1S/C26H23F3N6O2.C25H23FN6O2.C25H24N6O2/c27-26(28,29)15-1-6-23-31-13-21(35(23)14-15)18-3-4-20(24-19(18)12-32-25(24)37)33-22-5-2-16(11-30-22)34-9-7-17(36)8-10-34;26-19-2-1-9-32-21(14-28-24(19)32)17-4-5-20(23-18(17)13-29-25(23)34)30-22-6-3-15(12-27-22)31-10-7-16(33)8-11-31;32-17-8-11-30(12-9-17)16-4-7-23(26-13-16)29-21-6-5-18(20-14-27-25(33)24(20)21)19-15-28-31-10-2-1-3-22(19)31/h1-6,11,13-14,17,36H,7-10,12H2,(H,30,33)(H,32,37);1-6,9,12,14,16,33H,7-8,10-11,13H2,(H,27,30)(H,29,34);1-7,10,13,15,17,32H,8-9,11-12,14H2,(H,26,29)(H,27,33)
• InChIKey: MWZHIPNEKXYDNF-UHFFFAOYSA-N
• XLogP: 11.19
• TPSA: 284.37 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1407.51
LogP ≤ 5	11.19
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one?

The IUPAC name of 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one (CID 159695780) is 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one?

The canonical SMILES for 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2c(-c3cnc4c(F)cccn34)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c21.O=C1NCc2c(-c3cnc4ccc(C(F)(F)F)cn34)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c21.O=C1NCc2c(-c3cnn4ccccc34)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c21.

What is the InChIKey of 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one?

The InChIKey is MWZHIPNEKXYDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O2.C25H23FN6O2.C25H24N6O2/c27-26(28,29)15-1-6-23-31-13-21(35(23)14-15)18-3-4-20(24-19(18)12-32-25(24)37)33-22-5-2-16(11-30-22)34-9-7-17(36)8-10-34;26-19-2-1-9-32-21(14-28-24(19)32)17-4-5-20(23-18(17)13-29-25(23)34)30-22-6-3-15(12-27-22)31-10-7-16(33)8-11-31;32-17-8-11-30(12-9-17)16-4-7-23(26-13-16)29-21-6-5-18(20-14-27-25(33)24(20)21)19-15-28-31-10-2-1-3-22(19)31/h1-6,11,13-14,17,36H,7-10,12H2,(H,30,33)(H,32,37);1-6,9,12,14,16,33H,7-8,10-11,13H2,(H,27,30)(H,29,34);1-7,10,13,15,17,32H,8-9,11-12,14H2,(H,26,29)(H,27,33).

What are the key properties of 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one?

4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 1407.51 g/mol, XLogP of 11.19, 12 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-pyrazolo[1,5-a]pyridin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 159695780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).