5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine

C87H79Br2Cl4F4N21O15 — CID 160871304

About 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine

5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine (PubChem CID 160871304) has the molecular formula C87H79Br2Cl4F4N21O15 and a molecular weight of 2036.33 g/mol. Its IUPAC name is 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine
• PubChem CID: 160871304
• Molecular Formula: C87H79Br2Cl4F4N21O15
• Molecular Weight: 2036.33 g/mol
• Exact Mass: 2031.31
• IUPAC Name: 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine
• SMILES: CC(C)(C)OC(=O)N1CC(=O)c2cc(F)ccc2C1.CC(C)(C)OC(=O)N1Cc2ccc(F)cc2C2(C1)NC(=O)c1c(Cl)cc(Br)c(=O)n12.CC(C)(C)OC(=O)N1Cc2ccc(F)cc2C2(C1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n12.NC(=O)c1[nH]c(=O)c(Br)cc1Cl.Nc1ccncn1.O=C1NC2(CNCc3ccc(F)cc32)n2c1c(Cl)cc(Nc1ccncn1)c2=O
• InChI: InChI=1S/C24H22ClFN6O4.C20H18BrClFN3O4.C19H14ClFN6O2.C14H16FNO3.C6H4BrClN2O2.C4H5N3/c1-23(2,3)36-22(35)31-10-13-4-5-14(26)8-15(13)24(11-31)30-20(33)19-16(25)9-17(21(34)32(19)24)29-18-6-7-27-12-28-18;1-19(2,3)30-18(29)25-8-10-4-5-11(23)6-12(10)20(9-25)24-16(27)15-14(22)7-13(21)17(28)26(15)20;20-13-6-14(25-15-3-4-22-9-24-15)18(29)27-16(13)17(28)26-19(27)8-23-7-10-1-2-11(21)5-12(10)19;1-14(2,3)19-13(18)16-7-9-4-5-10(15)6-11(9)12(17)8-16;7-2-1-3(8)4(5(9)11)10-6(2)12;5-4-1-2-6-3-7-4/h4-9,12H,10-11H2,1-3H3,(H,30,33)(H,27,28,29);4-7H,8-9H2,1-3H3,(H,24,27);1-6,9,23H,7-8H2,(H,26,28)(H,22,24,25);4-6H,7-8H2,1-3H3;1H,(H2,9,11)(H,10,12);1-3H,(H2,5,6,7)
• InChIKey: SLUIVCWDEYWWRO-UHFFFAOYSA-N
• XLogP: 12.40
• TPSA: 474.39 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 5
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2036.33
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine?

The IUPAC name of 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine (CID 160871304) is 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine.

What is the SMILES notation for 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine?

The canonical SMILES for 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine is CC(C)(C)OC(=O)N1CC(=O)c2cc(F)ccc2C1.CC(C)(C)OC(=O)N1Cc2ccc(F)cc2C2(C1)NC(=O)c1c(Cl)cc(Br)c(=O)n12.CC(C)(C)OC(=O)N1Cc2ccc(F)cc2C2(C1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n12.NC(=O)c1[nH]c(=O)c(Br)cc1Cl.Nc1ccncn1.O=C1NC2(CNCc3ccc(F)cc32)n2c1c(Cl)cc(Nc1ccncn1)c2=O.

What is the InChIKey of 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine?

The InChIKey is SLUIVCWDEYWWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6O4.C20H18BrClFN3O4.C19H14ClFN6O2.C14H16FNO3.C6H4BrClN2O2.C4H5N3/c1-23(2,3)36-22(35)31-10-13-4-5-14(26)8-15(13)24(11-31)30-20(33)19-16(25)9-17(21(34)32(19)24)29-18-6-7-27-12-28-18;1-19(2,3)30-18(29)25-8-10-4-5-11(23)6-12(10)20(9-25)24-16(27)15-14(22)7-13(21)17(28)26(15)20;20-13-6-14(25-15-3-4-22-9-24-15)18(29)27-16(13)17(28)26-19(27)8-23-7-10-1-2-11(21)5-12(10)19;1-14(2,3)19-13(18)16-7-9-4-5-10(15)6-11(9)12(17)8-16;7-2-1-3(8)4(5(9)11)10-6(2)12;5-4-1-2-6-3-7-4/h4-9,12H,10-11H2,1-3H3,(H,30,33)(H,27,28,29);4-7H,8-9H2,1-3H3,(H,24,27);1-6,9,23H,7-8H2,(H,26,28)(H,22,24,25);4-6H,7-8H2,1-3H3;1H,(H2,9,11)(H,10,12);1-3H,(H2,5,6,7).

What are the key properties of 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine?

5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine has a molecular weight of 2036.33 g/mol, XLogP of 12.40, 5 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine is sourced from PubChem (CID 160871304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).