[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate

C81H71Cl4F2N27O16 — CID 163686905

About [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate

[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate (PubChem CID 163686905) has the molecular formula C81H71Cl4F2N27O16 and a molecular weight of 1858.44 g/mol. Its IUPAC name is [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate.

Molecular Properties

• Compound Name: [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate
• PubChem CID: 163686905
• Molecular Formula: C81H71Cl4F2N27O16
• Molecular Weight: 1858.44 g/mol
• Exact Mass: 1855.43
• IUPAC Name: [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate
• SMILES: CCC1Oc2nc(-c3nnn(C)c3NC(=O)O[C@H](C)c3cccnc3Cl)ccc2NC1=O.C[C@@H](OC(=O)Nc1c(-c2cc(F)c3c(c2)OCC(=O)N3)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc3c(n2)OC(c2ccccc2)C(=O)N3)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Nc1c(-c2nc3c(cc2F)NC(=O)CO3)nnn1C)c1cccnc1Cl
• InChI: InChI=1S/C24H20ClN7O4.C20H20ClN7O4.C19H16ClFN6O4.C18H15ClFN7O4/c1-13(15-9-6-12-26-20(15)25)35-24(34)29-21-18(30-31-32(21)2)16-10-11-17-23(28-16)36-19(22(33)27-17)14-7-4-3-5-8-14;1-4-14-18(29)23-13-8-7-12(24-19(13)32-14)15-17(28(3)27-26-15)25-20(30)31-10(2)11-6-5-9-22-16(11)21;1-9(11-4-3-5-22-17(11)20)31-19(29)24-18-15(25-26-27(18)2)10-6-12(21)16-13(7-10)30-8-14(28)23-16;1-8(9-4-3-5-21-15(9)19)31-18(29)24-16-14(25-26-27(16)2)13-10(20)6-11-17(23-13)30-7-12(28)22-11/h3-13,19H,1-2H3,(H,27,33)(H,29,34);5-10,14H,4H2,1-3H3,(H,23,29)(H,25,30);3-7,9H,8H2,1-2H3,(H,23,28)(H,24,29);3-6,8H,7H2,1-2H3,(H,22,28)(H,24,29)/t13-,19?;10-,14?;9-;8-/m1111/s1
• InChIKey: JPQFKDSAKKPAPJ-VJJGGJIUSA-N
• XLogP: 13.67
• TPSA: 519.71 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 18
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1858.44
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate?

The IUPAC name of [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate (CID 163686905) is [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate.

What is the SMILES notation for [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate?

The canonical SMILES for [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate is CCC1Oc2nc(-c3nnn(C)c3NC(=O)O[C@H](C)c3cccnc3Cl)ccc2NC1=O.C[C@@H](OC(=O)Nc1c(-c2cc(F)c3c(c2)OCC(=O)N3)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc3c(n2)OC(c2ccccc2)C(=O)N3)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Nc1c(-c2nc3c(cc2F)NC(=O)CO3)nnn1C)c1cccnc1Cl.

What is the InChIKey of [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate?

The InChIKey is JPQFKDSAKKPAPJ-VJJGGJIUSA-N. The full InChI is InChI=1S/C24H20ClN7O4.C20H20ClN7O4.C19H16ClFN6O4.C18H15ClFN7O4/c1-13(15-9-6-12-26-20(15)25)35-24(34)29-21-18(30-31-32(21)2)16-10-11-17-23(28-16)36-19(22(33)27-17)14-7-4-3-5-8-14;1-4-14-18(29)23-13-8-7-12(24-19(13)32-14)15-17(28(3)27-26-15)25-20(30)31-10(2)11-6-5-9-22-16(11)21;1-9(11-4-3-5-22-17(11)20)31-19(29)24-18-15(25-26-27(18)2)10-6-12(21)16-13(7-10)30-8-14(28)23-16;1-8(9-4-3-5-21-15(9)19)31-18(29)24-16-14(25-26-27(16)2)13-10(20)6-11-17(23-13)30-7-12(28)22-11/h3-13,19H,1-2H3,(H,27,33)(H,29,34);5-10,14H,4H2,1-3H3,(H,23,29)(H,25,30);3-7,9H,8H2,1-2H3,(H,23,28)(H,24,29);3-6,8H,7H2,1-2H3,(H,22,28)(H,24,29)/t13-,19?;10-,14?;9-;8-/m1111/s1.

What are the key properties of [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate?

[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate has a molecular weight of 1858.44 g/mol, XLogP of 13.67, 18 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-fluoro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(2-oxo-3-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate is sourced from PubChem (CID 163686905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).