tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

C58H69BBrF3N12O8 — CID 167632399

About tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (PubChem CID 167632399) has the molecular formula C58H69BBrF3N12O8 and a molecular weight of 1209.98 g/mol. Its IUPAC name is tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
• PubChem CID: 167632399
• Molecular Formula: C58H69BBrF3N12O8
• Molecular Weight: 1209.98 g/mol
• Exact Mass: 1208.46
• IUPAC Name: tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
• SMILES: Cc1cc(Br)nc2c(=O)[nH]c(C3(F)CCN(C(=O)OC(C)(C)C)CC3)nc12.Cc1cn2cc(-c3cc(C)c4nc(C5(F)CCN(C(=O)OC(C)(C)C)CC5)[nH]c(=O)c4n3)ccc2n1.Cc1cn2cc(B3OC(C)(C)C(C)(C)O3)cc(F)c2n1
• InChI: InChI=1S/C26H29FN6O3.C18H22BrFN4O3.C14H18BFN2O2/c1-15-12-18(17-6-7-19-28-16(2)13-33(19)14-17)29-21-20(15)30-23(31-22(21)34)26(27)8-10-32(11-9-26)24(35)36-25(3,4)5;1-10-9-11(19)21-13-12(10)22-15(23-14(13)25)18(20)5-7-24(8-6-18)16(26)27-17(2,3)4;1-9-7-18-8-10(6-11(16)12(18)17-9)15-19-13(2,3)14(4,5)20-15/h6-7,12-14H,8-11H2,1-5H3,(H,30,31,34);9H,5-8H2,1-4H3,(H,22,23,25);6-8H,1-5H3
• InChIKey: NZLQHVZFZHXKJP-UHFFFAOYSA-N
• XLogP: 10.11
• TPSA: 229.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1209.98
LogP ≤ 5	10.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

The IUPAC name of tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (CID 167632399) is tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

What is the SMILES notation for tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

The canonical SMILES for tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is Cc1cc(Br)nc2c(=O)[nH]c(C3(F)CCN(C(=O)OC(C)(C)C)CC3)nc12.Cc1cn2cc(-c3cc(C)c4nc(C5(F)CCN(C(=O)OC(C)(C)C)CC5)[nH]c(=O)c4n3)ccc2n1.Cc1cn2cc(B3OC(C)(C)C(C)(C)O3)cc(F)c2n1.

What is the InChIKey of tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

The InChIKey is NZLQHVZFZHXKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O3.C18H22BrFN4O3.C14H18BFN2O2/c1-15-12-18(17-6-7-19-28-16(2)13-33(19)14-17)29-21-20(15)30-23(31-22(21)34)26(27)8-10-32(11-9-26)24(35)36-25(3,4)5;1-10-9-11(19)21-13-12(10)22-15(23-14(13)25)18(20)5-7-24(8-6-18)16(26)27-17(2,3)4;1-9-7-18-8-10(6-11(16)12(18)17-9)15-19-13(2,3)14(4,5)20-15/h6-7,12-14H,8-11H2,1-5H3,(H,30,31,34);9H,5-8H2,1-4H3,(H,22,23,25);6-8H,1-5H3.

What are the key properties of tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 1209.98 g/mol, XLogP of 10.11, 4 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 167632399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).