[2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate

C82H80ClF6N21O8 — CID 157493302

About [2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate

[2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate (PubChem CID 157493302) has the molecular formula C82H80ClF6N21O8 and a molecular weight of 1637.12 g/mol. Its IUPAC name is [2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate.

Molecular Properties

• Compound Name: [2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate
• PubChem CID: 157493302
• Molecular Formula: C82H80ClF6N21O8
• Molecular Weight: 1637.12 g/mol
• Exact Mass: 1635.61
• IUPAC Name: [2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate
• SMILES: CC(=O)OCC(=O)N1CCc2nc(Cl)ccc2C1.CC(=O)OCC(=O)N1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)C(C)(C)CC6)n3)ccc2C1.CC1(C)CCc2nc3c(F)cc(-c4nc(N)ncc4F)cc3n21.CC1(C)CCc2nc3c(F)cc(-c4nc(Nc5ccc6c(n5)CCN(C(=O)CO)C6)ncc4F)cc3n21
• InChI: InChI=1S/C28H27F2N7O3.C26H25F2N7O2.C16H15F2N5.C12H13ClN2O3/c1-15(38)40-14-24(39)36-9-7-20-16(13-36)4-5-22(32-20)33-27-31-12-19(30)25(35-27)17-10-18(29)26-21(11-17)37-23(34-26)6-8-28(37,2)3;1-26(2)7-5-21-32-24-16(27)9-15(10-19(24)35(21)26)23-17(28)11-29-25(33-23)31-20-4-3-14-12-34(22(37)13-36)8-6-18(14)30-20;1-16(2)4-3-12-21-14-9(17)5-8(6-11(14)23(12)16)13-10(18)7-20-15(19)22-13;1-8(16)18-7-12(17)15-5-4-10-9(6-15)2-3-11(13)14-10/h4-5,10-12H,6-9,13-14H2,1-3H3,(H,31,32,33,35);3-4,9-11,36H,5-8,12-13H2,1-2H3,(H,29,30,31,33);5-7H,3-4H2,1-2H3,(H2,19,20,22);2-3H,4-7H2,1H3
• InChIKey: BXNKXEVGKRTOOR-UHFFFAOYSA-N
• XLogP: 11.73
• TPSA: 353.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1637.12
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate?

The IUPAC name of [2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate (CID 157493302) is [2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate.

What is the SMILES notation for [2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate?

The canonical SMILES for [2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate is CC(=O)OCC(=O)N1CCc2nc(Cl)ccc2C1.CC(=O)OCC(=O)N1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)C(C)(C)CC6)n3)ccc2C1.CC1(C)CCc2nc3c(F)cc(-c4nc(N)ncc4F)cc3n21.CC1(C)CCc2nc3c(F)cc(-c4nc(Nc5ccc6c(n5)CCN(C(=O)CO)C6)ncc4F)cc3n21.

What is the InChIKey of [2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate?

The InChIKey is BXNKXEVGKRTOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N7O3.C26H25F2N7O2.C16H15F2N5.C12H13ClN2O3/c1-15(38)40-14-24(39)36-9-7-20-16(13-36)4-5-22(32-20)33-27-31-12-19(30)25(35-27)17-10-18(29)26-21(11-17)37-23(34-26)6-8-28(37,2)3;1-26(2)7-5-21-32-24-16(27)9-15(10-19(24)35(21)26)23-17(28)11-29-25(33-23)31-20-4-3-14-12-34(22(37)13-36)8-6-18(14)30-20;1-16(2)4-3-12-21-14-9(17)5-8(6-11(14)23(12)16)13-10(18)7-20-15(19)22-13;1-8(16)18-7-12(17)15-5-4-10-9(6-15)2-3-11(13)14-10/h4-5,10-12H,6-9,13-14H2,1-3H3,(H,31,32,33,35);3-4,9-11,36H,5-8,12-13H2,1-2H3,(H,29,30,31,33);5-7H,3-4H2,1-2H3,(H2,19,20,22);2-3H,4-7H2,1H3.

What are the key properties of [2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate?

[2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate has a molecular weight of 1637.12 g/mol, XLogP of 11.73, 12 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 157493302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).