4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one

C75H77N19O8 — CID 161078447

About 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one

4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one (PubChem CID 161078447) has the molecular formula C75H77N19O8 and a molecular weight of 1372.57 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one
• PubChem CID: 161078447
• Molecular Formula: C75H77N19O8
• Molecular Weight: 1372.57 g/mol
• Exact Mass: 1371.62
• IUPAC Name: 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one
• SMILES: COc1ccc2ncc(-c3ccc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3CNC4=O)n2c1.Cn1ccc2c(-c3ccc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3CNC4=O)ncnc21.O=C1NCc2c(-c3cnc4n3CCOC4)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c21
• InChI: InChI=1S/C26H26N6O3.C25H25N7O2.C24H26N6O3/c1-35-18-3-7-24-28-14-22(32(24)15-18)19-4-5-21(25-20(19)13-29-26(25)34)30-23-6-2-16(12-27-23)31-10-8-17(33)9-11-31;1-31-9-8-18-23(28-14-29-24(18)31)17-3-4-20(22-19(17)13-27-25(22)34)30-21-5-2-15(12-26-21)32-10-6-16(33)7-11-32;31-16-5-7-29(8-6-16)15-1-4-21(25-11-15)28-19-3-2-17(18-12-27-24(32)23(18)19)20-13-26-22-14-33-10-9-30(20)22/h2-7,12,14-15,17,33H,8-11,13H2,1H3,(H,27,30)(H,29,34);2-5,8-9,12,14,16,33H,6-7,10-11,13H2,1H3,(H,26,30)(H,27,34);1-4,11,13,16,31H,5-10,12,14H2,(H,25,28)(H,27,32)
• InChIKey: UFPBCMRYZXAFBN-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 316.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1372.57
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one?

The IUPAC name of 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one (CID 161078447) is 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one?

The canonical SMILES for 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one is COc1ccc2ncc(-c3ccc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3CNC4=O)n2c1.Cn1ccc2c(-c3ccc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3CNC4=O)ncnc21.O=C1NCc2c(-c3cnc4n3CCOC4)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c21.

What is the InChIKey of 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one?

The InChIKey is UFPBCMRYZXAFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3.C25H25N7O2.C24H26N6O3/c1-35-18-3-7-24-28-14-22(32(24)15-18)19-4-5-21(25-20(19)13-29-26(25)34)30-23-6-2-16(12-27-23)31-10-8-17(33)9-11-31;1-31-9-8-18-23(28-14-29-24(18)31)17-3-4-20(22-19(17)13-27-25(22)34)30-21-5-2-15(12-26-21)32-10-6-16(33)7-11-32;31-16-5-7-29(8-6-16)15-1-4-21(25-11-15)28-19-3-2-17(18-12-27-24(32)23(18)19)20-13-26-22-14-33-10-9-30(20)22/h2-7,12,14-15,17,33H,8-11,13H2,1H3,(H,27,30)(H,29,34);2-5,8-9,12,14,16,33H,6-7,10-11,13H2,1H3,(H,26,30)(H,27,34);1-4,11,13,16,31H,5-10,12,14H2,(H,25,28)(H,27,32).

What are the key properties of 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one?

4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 1372.57 g/mol, XLogP of 8.75, 13 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-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-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 161078447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).