6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one

C58H54Br2Cl2F2N20O15 — CID 163605924

About 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one

6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 163605924) has the molecular formula C58H54Br2Cl2F2N20O15 and a molecular weight of 1539.90 g/mol. Its IUPAC name is 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

• Compound Name: 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
• PubChem CID: 163605924
• Molecular Formula: C58H54Br2Cl2F2N20O15
• Molecular Weight: 1539.90 g/mol
• Exact Mass: 1536.18
• IUPAC Name: 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
• SMILES: CC1Oc2nc(-c3nnn(C)c3C(=O)O)ccc2NC1=O.CC1Oc2nc(-c3nnn(C)c3NC(=O)O[C@H](C)c3cc(F)cnc3Cl)ccc2NC1=O.CC1Oc2nc(Br)ccc2NC1=O.CC1Oc2ncccc2NC1=O.C[C@@H](O)c1cc(F)cnc1Cl.Cn1nnc(Br)c1C(=O)O
• InChI: InChI=1S/C19H17ClFN7O4.C12H11N5O4.C8H7BrN2O2.C8H8N2O2.C7H7ClFNO.C4H4BrN3O2/c1-8(11-6-10(21)7-22-15(11)20)32-19(30)25-16-14(26-27-28(16)3)12-4-5-13-18(24-12)31-9(2)17(29)23-13;1-5-10(18)13-7-4-3-6(14-11(7)21-5)8-9(12(19)20)17(2)16-15-8;1-4-7(12)10-5-2-3-6(9)11-8(5)13-4;1-5-7(11)10-6-3-2-4-9-8(6)12-5;1-4(11)6-2-5(9)3-10-7(6)8;1-8-2(4(9)10)3(5)6-7-8/h4-9H,1-3H3,(H,23,29)(H,25,30);3-5H,1-2H3,(H,13,18)(H,19,20);2-4H,1H3,(H,10,12);2-5H,1H3,(H,10,11);2-4,11H,1H3;1H3,(H,9,10)/t8-,9?;;;;4-;/m1...1./s1
• InChIKey: HBTVKFNWHJZHAX-QSYMMYFDSA-N
• XLogP: 7.96
• TPSA: 455.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 8
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1539.90
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

The IUPAC name of 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one (CID 163605924) is 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one.

What is the SMILES notation for 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

The canonical SMILES for 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one is CC1Oc2nc(-c3nnn(C)c3C(=O)O)ccc2NC1=O.CC1Oc2nc(-c3nnn(C)c3NC(=O)O[C@H](C)c3cc(F)cnc3Cl)ccc2NC1=O.CC1Oc2nc(Br)ccc2NC1=O.CC1Oc2ncccc2NC1=O.C[C@@H](O)c1cc(F)cnc1Cl.Cn1nnc(Br)c1C(=O)O.

What is the InChIKey of 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

The InChIKey is HBTVKFNWHJZHAX-QSYMMYFDSA-N. The full InChI is InChI=1S/C19H17ClFN7O4.C12H11N5O4.C8H7BrN2O2.C8H8N2O2.C7H7ClFNO.C4H4BrN3O2/c1-8(11-6-10(21)7-22-15(11)20)32-19(30)25-16-14(26-27-28(16)3)12-4-5-13-18(24-12)31-9(2)17(29)23-13;1-5-10(18)13-7-4-3-6(14-11(7)21-5)8-9(12(19)20)17(2)16-15-8;1-4-7(12)10-5-2-3-6(9)11-8(5)13-4;1-5-7(11)10-6-3-2-4-9-8(6)12-5;1-4(11)6-2-5(9)3-10-7(6)8;1-8-2(4(9)10)3(5)6-7-8/h4-9H,1-3H3,(H,23,29)(H,25,30);3-5H,1-2H3,(H,13,18)(H,19,20);2-4H,1H3,(H,10,12);2-5H,1H3,(H,10,11);2-4,11H,1H3;1H3,(H,9,10)/t8-,9?;;;;4-;/m1...1./s1.

What are the key properties of 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 1539.90 g/mol, XLogP of 7.96, 8 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazole-4-carboxylic acid;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 163605924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).