2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione

C88H93F3N12O11 — CID 164960584

About 2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione

2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione (PubChem CID 164960584) has the molecular formula C88H93F3N12O11 and a molecular weight of 1551.78 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione
• PubChem CID: 164960584
• Molecular Formula: C88H93F3N12O11
• Molecular Weight: 1551.78 g/mol
• Exact Mass: 1550.70
• IUPAC Name: 2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1C=O.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCc2cc(C3CCN(c4ccc(NC5CCC(=O)NC5=O)cc4C(F)(F)F)CC3)ccc2C1.Cc1cc(NC2CCC(=O)NC2=O)ccc1N1CCC(c2ccc3c(c2)CCNC3)CC1
• InChI: InChI=1S/C44H45F3N6O5.C26H32N4O2.C18H16N2O4/c1-51-24-34(32-10-14-48-22-33(32)43(51)56)30-19-39(57-2)35(40(20-30)58-3)25-52-15-11-28-18-27(4-5-29(28)23-52)26-12-16-53(17-13-26)38-8-6-31(21-36(38)44(45,46)47)49-37-7-9-41(54)50-42(37)55;1-17-14-22(28-23-5-7-25(31)29-26(23)32)4-6-24(17)30-12-9-18(10-13-30)19-2-3-21-16-27-11-8-20(21)15-19;1-20-9-14(12-4-5-19-8-13(12)18(20)22)11-6-16(23-2)15(10-21)17(7-11)24-3/h4-6,8,10,14,18-22,24,26,37,49H,7,9,11-13,15-17,23,25H2,1-3H3,(H,50,54,55);2-4,6,14-15,18,23,27-28H,5,7-13,16H2,1H3,(H,29,31,32);4-10H,1-3H3
• InChIKey: BUCBHWNLBRHCRH-UHFFFAOYSA-N
• XLogP: 12.47
• TPSA: 261.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1551.78
LogP ≤ 5	12.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione?

The IUPAC name of 2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione (CID 164960584) is 2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione.

What is the SMILES notation for 2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione?

The canonical SMILES for 2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1C=O.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCc2cc(C3CCN(c4ccc(NC5CCC(=O)NC5=O)cc4C(F)(F)F)CC3)ccc2C1.Cc1cc(NC2CCC(=O)NC2=O)ccc1N1CCC(c2ccc3c(c2)CCNC3)CC1.

What is the InChIKey of 2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione?

The InChIKey is BUCBHWNLBRHCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45F3N6O5.C26H32N4O2.C18H16N2O4/c1-51-24-34(32-10-14-48-22-33(32)43(51)56)30-19-39(57-2)35(40(20-30)58-3)25-52-15-11-28-18-27(4-5-29(28)23-52)26-12-16-53(17-13-26)38-8-6-31(21-36(38)44(45,46)47)49-37-7-9-41(54)50-42(37)55;1-17-14-22(28-23-5-7-25(31)29-26(23)32)4-6-24(17)30-12-9-18(10-13-30)19-2-3-21-16-27-11-8-20(21)15-19;1-20-9-14(12-4-5-19-8-13(12)18(20)22)11-6-16(23-2)15(10-21)17(7-11)24-3/h4-6,8,10,14,18-22,24,26,37,49H,7,9,11-13,15-17,23,25H2,1-3H3,(H,50,54,55);2-4,6,14-15,18,23,27-28H,5,7-13,16H2,1H3,(H,29,31,32);4-10H,1-3H3.

What are the key properties of 2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione?

2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione has a molecular weight of 1551.78 g/mol, XLogP of 12.47, 17 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzaldehyde;3-[4-[4-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[3-methyl-4-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)piperidin-1-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 164960584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).