4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one

C150H158N20O17 — CID 159178070

About 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one

4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one (PubChem CID 159178070) has the molecular formula C150H158N20O17 and a molecular weight of 2513.04 g/mol. Its IUPAC name is 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one
• PubChem CID: 159178070
• Molecular Formula: C150H158N20O17
• Molecular Weight: 2513.04 g/mol
• Exact Mass: 2511.21
• IUPAC Name: 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one
• SMILES: C=C1CCC(N2Cc3c(OCc4cc(CN5CCC(C(C)C)CC5)no4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(CN5CCc6cc(OC)ccc6C5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(CN5CCc6ncccc6C5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(CN5CCn6cc(C)nc6C5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5cc(-c6ccccc6)nc5C)cc4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C32H30N4O3.C32H33N3O4.C30H30N4O3.C29H31N5O3.C27H34N4O4/c1-21-11-16-29(31(37)33-21)36-18-27-26(32(36)38)9-6-10-30(27)39-20-24-14-12-23(13-15-24)17-35-19-28(34-22(35)2)25-7-4-3-5-8-25;1-21-6-13-29(31(36)33-21)35-19-28-27(32(35)37)4-3-5-30(28)39-20-23-9-7-22(8-10-23)17-34-15-14-24-16-26(38-2)12-11-25(24)18-34;1-20-7-12-27(29(35)32-20)34-18-25-24(30(34)36)5-2-6-28(25)37-19-22-10-8-21(9-11-22)16-33-15-13-26-23(17-33)4-3-14-31-26;1-19-6-11-25(28(35)31-19)34-16-24-23(29(34)36)4-3-5-26(24)37-18-22-9-7-21(8-10-22)15-32-12-13-33-14-20(2)30-27(33)17-32;1-17(2)19-9-11-30(12-10-19)14-20-13-21(35-29-20)16-34-25-6-4-5-22-23(25)15-31(27(22)33)24-8-7-18(3)28-26(24)32/h3-10,12-15,19,29H,1,11,16-18,20H2,2H3,(H,33,37);3-5,7-12,16,29H,1,6,13-15,17-20H2,2H3,(H,33,36);2-6,8-11,14,27H,1,7,12-13,15-19H2,(H,32,35);3-5,7-10,14,25H,1,6,11-13,15-18H2,2H3,(H,31,35);4-6,13,17,19,24H,3,7-12,14-16H2,1-2H3,(H,28,32)
• InChIKey: KMNPSHJUJZYBLV-UHFFFAOYSA-N
• XLogP: 21.19
• TPSA: 389.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2513.04
LogP ≤ 5	21.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one?

The IUPAC name of 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one (CID 159178070) is 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one.

What is the SMILES notation for 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one?

The canonical SMILES for 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one is C=C1CCC(N2Cc3c(OCc4cc(CN5CCC(C(C)C)CC5)no4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(CN5CCc6cc(OC)ccc6C5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(CN5CCc6ncccc6C5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(CN5CCn6cc(C)nc6C5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5cc(-c6ccccc6)nc5C)cc4)cccc3C2=O)C(=O)N1.

What is the InChIKey of 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one?

The InChIKey is KMNPSHJUJZYBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O3.C32H33N3O4.C30H30N4O3.C29H31N5O3.C27H34N4O4/c1-21-11-16-29(31(37)33-21)36-18-27-26(32(36)38)9-6-10-30(27)39-20-24-14-12-23(13-15-24)17-35-19-28(34-22(35)2)25-7-4-3-5-8-25;1-21-6-13-29(31(36)33-21)35-19-28-27(32(35)37)4-3-5-30(28)39-20-23-9-7-22(8-10-23)17-34-15-14-24-16-26(38-2)12-11-25(24)18-34;1-20-7-12-27(29(35)32-20)34-18-25-24(30(34)36)5-2-6-28(25)37-19-22-10-8-21(9-11-22)16-33-15-13-26-23(17-33)4-3-14-31-26;1-19-6-11-25(28(35)31-19)34-16-24-23(29(34)36)4-3-5-26(24)37-18-22-9-7-21(8-10-22)15-32-12-13-33-14-20(2)30-27(33)17-32;1-17(2)19-9-11-30(12-10-19)14-20-13-21(35-29-20)16-34-25-6-4-5-22-23(25)15-31(27(22)33)24-8-7-18(3)28-26(24)32/h3-10,12-15,19,29H,1,11,16-18,20H2,2H3,(H,33,37);3-5,7-12,16,29H,1,6,13-15,17-20H2,2H3,(H,33,36);2-6,8-11,14,27H,1,7,12-13,15-19H2,(H,32,35);3-5,7-10,14,25H,1,6,11-13,15-18H2,2H3,(H,31,35);4-6,13,17,19,24H,3,7-12,14-16H2,1-2H3,(H,28,32).

What are the key properties of 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one?

4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one has a molecular weight of 2513.04 g/mol, XLogP of 21.19, 33 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one is sourced from PubChem (CID 159178070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).