8-bromo-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane

C115H128BBr2F12N21O6 — CID 163442366

About 8-bromo-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane

8-bromo-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane (PubChem CID 163442366) has the molecular formula C115H128BBr2F12N21O6 and a molecular weight of 2299.03 g/mol. Its IUPAC name is 8-bromo-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane.

Molecular Properties

• Compound Name: 8-bromo-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane
• PubChem CID: 163442366
• Molecular Formula: C115H128BBr2F12N21O6
• Molecular Weight: 2299.03 g/mol
• Exact Mass: 2295.86
• IUPAC Name: 8-bromo-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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(N5CCC[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]2CCCN2)c1.Fc1ccc(F)c([C@H]2CCCN2c2ccc3ncc(F)c(-c4cnn(C5CCNCC5)c4)c3n2)c1.Fc1ccc(F)c([C@H]2CCCN2c2ccc3ncc(F)c(Br)c3n2)c1
• InChI: InChI=1S/C31H33F3N6O2.C26H25F3N6.C19H32BN3O4.C18H13BrF3N3.C10H11F2N.C9H6BrFN2.2CH4/c1-31(2,3)42-30(41)38-13-10-21(11-14-38)40-18-19(16-36-40)28-24(34)17-35-25-8-9-27(37-29(25)28)39-12-4-5-26(39)22-15-20(32)6-7-23(22)33;27-17-3-4-20(28)19(12-17)23-2-1-11-34(23)24-6-5-22-26(33-24)25(21(29)14-31-22)16-13-32-35(15-16)18-7-9-30-10-8-18;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(22)9-23-14-5-6-16(24-18(14)17)25-7-1-2-15(25)11-8-10(20)3-4-12(11)21;11-7-3-4-9(12)8(6-7)10-2-1-5-13-10;1-5-2-3-7-9(13-5)8(10)6(11)4-12-7;;/h6-9,15-18,21,26H,4-5,10-14H2,1-3H3;3-6,12-15,18,23,30H,1-2,7-11H2;12-13,15H,8-11H2,1-7H3;3-6,8-9,15H,1-2,7H2;3-4,6,10,13H,1-2,5H2;2-4H,1H3;2*1H4/t26-;23-;;15-;10-;;;/m11.11.../s1
• InChIKey: AZPBTWJAKUWJBN-RXZVHKGTSA-N
• XLogP: 26.41
• TPSA: 267.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2299.03
LogP ≤ 5	26.41
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)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane?

The IUPAC name of 8-bromo-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane (CID 163442366) is 8-bromo-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane?

The canonical SMILES for 8-bromo-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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(N5CCC[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]2CCCN2)c1.Fc1ccc(F)c([C@H]2CCCN2c2ccc3ncc(F)c(-c4cnn(C5CCNCC5)c4)c3n2)c1.Fc1ccc(F)c([C@H]2CCCN2c2ccc3ncc(F)c(Br)c3n2)c1.

What is the InChIKey of 8-bromo-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane?

The InChIKey is AZPBTWJAKUWJBN-RXZVHKGTSA-N. The full InChI is InChI=1S/C31H33F3N6O2.C26H25F3N6.C19H32BN3O4.C18H13BrF3N3.C10H11F2N.C9H6BrFN2.2CH4/c1-31(2,3)42-30(41)38-13-10-21(11-14-38)40-18-19(16-36-40)28-24(34)17-35-25-8-9-27(37-29(25)28)39-12-4-5-26(39)22-15-20(32)6-7-23(22)33;27-17-3-4-20(28)19(12-17)23-2-1-11-34(23)24-6-5-22-26(33-24)25(21(29)14-31-22)16-13-32-35(15-16)18-7-9-30-10-8-18;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(22)9-23-14-5-6-16(24-18(14)17)25-7-1-2-15(25)11-8-10(20)3-4-12(11)21;11-7-3-4-9(12)8(6-7)10-2-1-5-13-10;1-5-2-3-7-9(13-5)8(10)6(11)4-12-7;;/h6-9,15-18,21,26H,4-5,10-14H2,1-3H3;3-6,12-15,18,23,30H,1-2,7-11H2;12-13,15H,8-11H2,1-7H3;3-6,8-9,15H,1-2,7H2;3-4,6,10,13H,1-2,5H2;2-4H,1H3;2*1H4/t26-;23-;;15-;10-;;;/m11.11.../s1.

What are the key properties of 8-bromo-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane?

8-bromo-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane has a molecular weight of 2299.03 g/mol, XLogP of 26.41, 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)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-1,5-naphthyridine;8-bromo-7-fluoro-2-methyl-1,5-naphthyridine;tert-butyl 4-[4-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-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)-2-(2,5-difluorophenyl)pyrrolidine;2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine;methane is sourced from PubChem (CID 163442366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).