8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane

C115H124BBr2F16N21O6 — CID 163561867

About 8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane

8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane (PubChem CID 163561867) has the molecular formula C115H124BBr2F16N21O6 and a molecular weight of 2370.99 g/mol. Its IUPAC name is 8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane.

Molecular Properties

• Compound Name: 8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane
• PubChem CID: 163561867
• Molecular Formula: C115H124BBr2F16N21O6
• Molecular Weight: 2370.99 g/mol
• Exact Mass: 2367.82
• IUPAC Name: 8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane
• SMILES: C.C.CC(C)(C)OC(=O)N1CCC(n2cc(-c3c(F)cnc4ccc(N5C[C@@H](F)C[C@@H]5c5cc(F)ccc5F)nc34)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.Cc1ccc2ncc(F)c(Br)c2n1.Fc1ccc(F)c([C@H]2C[C@H](F)CN2)c1.Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3ncc(F)c(-c4cnn(C5CCNCC5)c4)c3n2)c1.Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3ncc(F)c(Br)c3n2)c1
• InChI: InChI=1S/C31H32F4N6O2.C26H24F4N6.C19H32BN3O4.C18H12BrF4N3.C10H10F3N.C9H6BrFN2.2CH4/c1-31(2,3)43-30(42)39-10-8-21(9-11-39)41-16-18(14-37-41)28-24(35)15-36-25-6-7-27(38-29(25)28)40-17-20(33)13-26(40)22-12-19(32)4-5-23(22)34;27-16-1-2-20(29)19(9-16)23-10-17(28)14-35(23)24-4-3-22-26(34-24)25(21(30)12-32-22)15-11-33-36(13-15)18-5-7-31-8-6-18;1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20;19-17-13(23)7-24-14-3-4-16(25-18(14)17)26-8-10(21)6-15(26)11-5-9(20)1-2-12(11)22;11-6-1-2-9(13)8(3-6)10-4-7(12)5-14-10;1-5-2-3-7-9(13-5)8(10)6(11)4-12-7;;/h4-7,12,14-16,20-21,26H,8-11,13,17H2,1-3H3;1-4,9,11-13,17-18,23,31H,5-8,10,14H2;12-13,15H,8-11H2,1-7H3;1-5,7,10,15H,6,8H2;1-3,7,10,14H,4-5H2;2-4H,1H3;2*1H4/t20-,26+;17-,23+;;10-,15+;7-,10+;;;/m00.00.../s1
• InChIKey: FRWRLTDLKWOEHP-CYTVKQOESA-N
• XLogP: 26.20
• TPSA: 267.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2370.99
LogP ≤ 5	26.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane?

The IUPAC name of 8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane (CID 163561867) is 8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane.

What is the SMILES notation for 8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane?

The canonical SMILES for 8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane is C.C.CC(C)(C)OC(=O)N1CCC(n2cc(-c3c(F)cnc4ccc(N5C[C@@H](F)C[C@@H]5c5cc(F)ccc5F)nc34)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.Cc1ccc2ncc(F)c(Br)c2n1.Fc1ccc(F)c([C@H]2C[C@H](F)CN2)c1.Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3ncc(F)c(-c4cnn(C5CCNCC5)c4)c3n2)c1.Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3ncc(F)c(Br)c3n2)c1.

What is the InChIKey of 8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane?

The InChIKey is FRWRLTDLKWOEHP-CYTVKQOESA-N. The full InChI is InChI=1S/C31H32F4N6O2.C26H24F4N6.C19H32BN3O4.C18H12BrF4N3.C10H10F3N.C9H6BrFN2.2CH4/c1-31(2,3)43-30(42)39-10-8-21(9-11-39)41-16-18(14-37-41)28-24(35)15-36-25-6-7-27(38-29(25)28)40-17-20(33)13-26(40)22-12-19(32)4-5-23(22)34;27-16-1-2-20(29)19(9-16)23-10-17(28)14-35(23)24-4-3-22-26(34-24)25(21(30)12-32-22)15-11-33-36(13-15)18-5-7-31-8-6-18;1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20;19-17-13(23)7-24-14-3-4-16(25-18(14)17)26-8-10(21)6-15(26)11-5-9(20)1-2-12(11)22;11-6-1-2-9(13)8(3-6)10-4-7(12)5-14-10;1-5-2-3-7-9(13-5)8(10)6(11)4-12-7;;/h4-7,12,14-16,20-21,26H,8-11,13,17H2,1-3H3;1-4,9,11-13,17-18,23,31H,5-8,10,14H2;12-13,15H,8-11H2,1-7H3;1-5,7,10,15H,6,8H2;1-3,7,10,14H,4-5H2;2-4H,1H3;2*1H4/t20-,26+;17-,23+;;10-,15+;7-,10+;;;/m00.00.../s1.

What are the key properties of 8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane?

8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane has a molecular weight of 2370.99 g/mol, XLogP of 26.20, 13 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-3-fluoro-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane is sourced from PubChem (CID 163561867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).