7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one

C85H87F3N16O7 — CID 161223093

About 7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one

7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one (PubChem CID 161223093) has the molecular formula C85H87F3N16O7 and a molecular weight of 1501.73 g/mol. Its IUPAC name is 7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one.

Molecular Properties

• Compound Name: 7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one
• PubChem CID: 161223093
• Molecular Formula: C85H87F3N16O7
• Molecular Weight: 1501.73 g/mol
• Exact Mass: 1500.69
• IUPAC Name: 7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one
• SMILES: CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)CC3)ccc1N1CCC[C@@H](O)C1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)CC3)ccc1O[C@@H]1CCOC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)CC3)ccc1[C@H]1CCOC1
• InChI: InChI=1S/C29H31FN6O2.C28H28FN5O3.C28H28FN5O2/c1-34(2)17-23-24(35-12-3-4-19(37)16-35)8-10-27(33-23)32-22-7-5-20(21-6-9-26(38)29(21)22)25-15-31-28-14-18(30)11-13-36(25)28;1-33(2)15-22-25(37-18-10-12-36-16-18)7-8-26(32-22)31-21-5-3-19(20-4-6-24(35)28(20)21)23-14-30-27-13-17(29)9-11-34(23)27;1-33(2)15-23-19(17-10-12-36-16-17)5-8-26(32-23)31-22-6-3-20(21-4-7-25(35)28(21)22)24-14-30-27-13-18(29)9-11-34(24)27/h5,7-8,10-11,13-15,19,37H,3-4,6,9,12,16-17H2,1-2H3,(H,32,33);3,5,7-9,11,13-14,18H,4,6,10,12,15-16H2,1-2H3,(H,31,32);3,5-6,8-9,11,13-14,17H,4,7,10,12,15-16H2,1-2H3,(H,31,32)/t19-;18-;17-/m110/s1
• InChIKey: UXTSFCOHCWSIBV-DFNFPTQBSA-N
• XLogP: 14.04
• TPSA: 238.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1501.73
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one?

The IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one (CID 161223093) is 7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one.

What is the SMILES notation for 7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one?

The canonical SMILES for 7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one is CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)CC3)ccc1N1CCC[C@@H](O)C1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)CC3)ccc1O[C@@H]1CCOC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)CC3)ccc1[C@H]1CCOC1.

What is the InChIKey of 7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one?

The InChIKey is UXTSFCOHCWSIBV-DFNFPTQBSA-N. The full InChI is InChI=1S/C29H31FN6O2.C28H28FN5O3.C28H28FN5O2/c1-34(2)17-23-24(35-12-3-4-19(37)16-35)8-10-27(33-23)32-22-7-5-20(21-6-9-26(38)29(21)22)25-15-31-28-14-18(30)11-13-36(25)28;1-33(2)15-22-25(37-18-10-12-36-16-18)7-8-26(32-22)31-21-5-3-19(20-4-6-24(35)28(20)21)23-14-30-27-13-17(29)9-11-34(23)27;1-33(2)15-23-19(17-10-12-36-16-17)5-8-26(32-23)31-22-6-3-20(21-4-7-25(35)28(21)22)24-14-30-27-13-18(29)9-11-34(24)27/h5,7-8,10-11,13-15,19,37H,3-4,6,9,12,16-17H2,1-2H3,(H,32,33);3,5,7-9,11,13-14,18H,4,6,10,12,15-16H2,1-2H3,(H,31,32);3,5-6,8-9,11,13-14,17H,4,7,10,12,15-16H2,1-2H3,(H,31,32)/t19-;18-;17-/m110/s1.

What are the key properties of 7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one?

7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one has a molecular weight of 1501.73 g/mol, XLogP of 14.04, 19 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 161223093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).