N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C35H38F2N6O7 — CID 154671811

About N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 154671811) has the molecular formula C35H38F2N6O7 and a molecular weight of 692.72 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• PubChem CID: 154671811
• Molecular Formula: C35H38F2N6O7
• Molecular Weight: 692.72 g/mol
• Exact Mass: 692.28
• IUPAC Name: N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3c2CCN(C(=O)NCC(F)F)C3)cc(OC)c1CN(C)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
• InChI: InChI=1S/C35H38F2N6O7/c1-40(21-6-5-19-15-43(34(47)23(19)13-21)27-7-8-31(44)39-32(27)45)17-26-28(49-3)11-20(12-29(26)50-4)24-16-41(2)33(46)25-18-42(10-9-22(24)25)35(48)38-14-30(36)37/h5-6,11-13,16,27,30H,7-10,14-15,17-18H2,1-4H3,(H,38,48)(H,39,44,45)
• InChIKey: IVKWYDNFQZTTIF-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 142.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	692.72
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The IUPAC name of N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 154671811) is N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

What is the SMILES notation for N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The canonical SMILES for N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is COc1cc(-c2cn(C)c(=O)c3c2CCN(C(=O)NCC(F)F)C3)cc(OC)c1CN(C)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.

What is the InChIKey of N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The InChIKey is IVKWYDNFQZTTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38F2N6O7/c1-40(21-6-5-19-15-43(34(47)23(19)13-21)27-7-8-31(44)39-32(27)45)17-26-28(49-3)11-20(12-29(26)50-4)24-16-41(2)33(46)25-18-42(10-9-22(24)25)35(48)38-14-30(36)37/h5-6,11-13,16,27,30H,7-10,14-15,17-18H2,1-4H3,(H,38,48)(H,39,44,45).

What are the key properties of N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 692.72 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-difluoroethyl)-5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 154671811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).