4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one

C73H63F2N19O6 — CID 160640306

About 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one

4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (PubChem CID 160640306) has the molecular formula C73H63F2N19O6 and a molecular weight of 1340.43 g/mol. Its IUPAC name is 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
• PubChem CID: 160640306
• Molecular Formula: C73H63F2N19O6
• Molecular Weight: 1340.43 g/mol
• Exact Mass: 1339.52
• IUPAC Name: 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
• SMILES: CN1CCN(c2ccc(Nc3ccc(-c4cnc5cnccn45)c4c3C(=O)NC4)nc2)CC1=O.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(C4CCOCC4)cn3)c21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3cccc(N4CCCC4=O)n3)c21
• InChI: InChI=1S/C25H22FN5O2.C24H19FN6O2.C24H22N8O2/c26-17-5-8-31-21(14-28-23(31)11-17)18-2-3-20(24-19(18)13-29-25(24)32)30-22-4-1-16(12-27-22)15-6-9-33-10-7-15;25-14-8-10-30-18(13-26-21(30)11-14)15-6-7-17(23-16(15)12-27-24(23)33)28-19-3-1-4-20(29-19)31-9-2-5-22(31)32;1-30-8-9-31(14-22(30)33)15-2-5-20(26-10-15)29-18-4-3-16(17-11-28-24(34)23(17)18)19-12-27-21-13-25-6-7-32(19)21/h1-5,8,11-12,14-15H,6-7,9-10,13H2,(H,27,30)(H,29,32);1,3-4,6-8,10-11,13H,2,5,9,12H2,(H,27,33)(H,28,29);2-7,10,12-13H,8-9,11,14H2,1H3,(H,26,29)(H,28,34)
• InChIKey: RJBZGQOCKCPCNF-UHFFFAOYSA-N
• XLogP: 10.12
• TPSA: 279.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1340.43
LogP ≤ 5	10.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

The IUPAC name of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (CID 160640306) is 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

The canonical SMILES for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is CN1CCN(c2ccc(Nc3ccc(-c4cnc5cnccn45)c4c3C(=O)NC4)nc2)CC1=O.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(C4CCOCC4)cn3)c21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3cccc(N4CCCC4=O)n3)c21.

What is the InChIKey of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

The InChIKey is RJBZGQOCKCPCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2.C24H19FN6O2.C24H22N8O2/c26-17-5-8-31-21(14-28-23(31)11-17)18-2-3-20(24-19(18)13-29-25(24)32)30-22-4-1-16(12-27-22)15-6-9-33-10-7-15;25-14-8-10-30-18(13-26-21(30)11-14)15-6-7-17(23-16(15)12-27-24(23)33)28-19-3-1-4-20(29-19)31-9-2-5-22(31)32;1-30-8-9-31(14-22(30)33)15-2-5-20(26-10-15)29-18-4-3-16(17-11-28-24(34)23(17)18)19-12-27-21-13-25-6-7-32(19)21/h1-5,8,11-12,14-15H,6-7,9-10,13H2,(H,27,30)(H,29,32);1,3-4,6-8,10-11,13H,2,5,9,12H2,(H,27,33)(H,28,29);2-7,10,12-13H,8-9,11,14H2,1H3,(H,26,29)(H,28,34).

What are the key properties of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one has a molecular weight of 1340.43 g/mol, XLogP of 10.12, 12 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 160640306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).