tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C64H76BCl3N16O8 — CID 158697904

About tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 158697904) has the molecular formula C64H76BCl3N16O8 and a molecular weight of 1314.59 g/mol. Its IUPAC name is tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 158697904
• Molecular Formula: C64H76BCl3N16O8
• Molecular Weight: 1314.59 g/mol
• Exact Mass: 1312.52
• IUPAC Name: tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: CC(Cl)Cl.Cn1c(=O)n([C@H]2CCN(C(=O)OC(C)(C)C)C2)c2c3nc(Cl)ccc3ncc21.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4n3)n([C@H]3CCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1
• InChI: InChI=1S/C28H30N8O3.C19H22ClN5O3.C15H20BN3O2.C2H4Cl2/c1-28(2,3)39-27(38)35-11-10-19(16-35)36-25-23(34(5)26(36)37)14-30-22-9-8-21(32-24(22)25)17-6-7-20(29-12-17)18-13-31-33(4)15-18;1-19(2,3)28-18(27)24-8-7-11(10-24)25-16-13(23(4)17(25)26)9-21-12-5-6-14(20)22-15(12)16;1-14(2)15(3,4)21-16(20-14)12-6-7-13(17-9-12)11-8-18-19(5)10-11;1-2(3)4/h6-9,12-15,19H,10-11,16H2,1-5H3;5-6,9,11H,7-8,10H2,1-4H3;6-10H,1-5H3;2H,1H3/t19-;11-;;/m00../s1
• InChIKey: IHEDAYWKOPDGNW-UIZIWKSUSA-N
• XLogP: 10.64
• TPSA: 244.38 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1314.59
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 158697904) is tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC(Cl)Cl.Cn1c(=O)n([C@H]2CCN(C(=O)OC(C)(C)C)C2)c2c3nc(Cl)ccc3ncc21.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4n3)n([C@H]3CCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1.

What is the InChIKey of tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is IHEDAYWKOPDGNW-UIZIWKSUSA-N. The full InChI is InChI=1S/C28H30N8O3.C19H22ClN5O3.C15H20BN3O2.C2H4Cl2/c1-28(2,3)39-27(38)35-11-10-19(16-35)36-25-23(34(5)26(36)37)14-30-22-9-8-21(32-24(22)25)17-6-7-20(29-12-17)18-13-31-33(4)15-18;1-19(2,3)28-18(27)24-8-7-11(10-24)25-16-13(23(4)17(25)26)9-21-12-5-6-14(20)22-15(12)16;1-14(2)15(3,4)21-16(20-14)12-6-7-13(17-9-12)11-8-18-19(5)10-11;1-2(3)4/h6-9,12-15,19H,10-11,16H2,1-5H3;5-6,9,11H,7-8,10H2,1-4H3;6-10H,1-5H3;2H,1H3/t19-;11-;;/m00../s1.

What are the key properties of tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 1314.59 g/mol, XLogP of 10.64, 6 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-(8-chloro-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]pyrrolidine-1-carboxylate;1,1-dichloroethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 158697904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).