N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide

C24H20ClF2N7O4S — CID 57382877

About N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide

N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide (PubChem CID 57382877) has the molecular formula C24H20ClF2N7O4S and a molecular weight of 575.99 g/mol. Its IUPAC name is N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide
• PubChem CID: 57382877
• Molecular Formula: C24H20ClF2N7O4S
• Molecular Weight: 575.99 g/mol
• Exact Mass: 575.10
• IUPAC Name: N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide
• SMILES: Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4snnc4C)COC3)c(F)c2)no1
• InChI: InChI=1S/C24H20ClF2N7O4S/c1-10(29-23(36)24(8-37-9-24)31-22(35)20-11(2)32-34-39-20)19-17(27)4-13(7-28-19)15-5-14(25)6-16(26)18(15)21-30-12(3)38-33-21/h4-7,10H,8-9H2,1-3H3,(H,29,36)(H,31,35)/t10-/m1/s1
• InChIKey: TYOISXNHARBOSC-SNVBAGLBSA-N
• XLogP: 3.57
• TPSA: 145.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.99
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide?

The IUPAC name of N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide (CID 57382877) is N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide.

What is the SMILES notation for N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide?

The canonical SMILES for N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide is Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4snnc4C)COC3)c(F)c2)no1.

What is the InChIKey of N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide?

The InChIKey is TYOISXNHARBOSC-SNVBAGLBSA-N. The full InChI is InChI=1S/C24H20ClF2N7O4S/c1-10(29-23(36)24(8-37-9-24)31-22(35)20-11(2)32-34-39-20)19-17(27)4-13(7-28-19)15-5-14(25)6-16(26)18(15)21-30-12(3)38-33-21/h4-7,10H,8-9H2,1-3H3,(H,29,36)(H,31,35)/t10-/m1/s1.

What are the key properties of N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide?

N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 575.99 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 57382877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).