2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide

C24H24ClFN4O6S — CID 138579661

About 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide

2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide (PubChem CID 138579661) has the molecular formula C24H24ClFN4O6S and a molecular weight of 551.00 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide.

Molecular Properties

• Compound Name: 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide
• PubChem CID: 138579661
• Molecular Formula: C24H24ClFN4O6S
• Molecular Weight: 551.00 g/mol
• Exact Mass: 550.11
• IUPAC Name: 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide
• SMILES: CO[C@H]1COc2cc(S(=O)(=O)NC(=O)Cc3c(C)cc(Oc4ccc(F)c(Cl)c4)nc3C3CC3)nn2C1
• InChI: InChI=1S/C24H24ClFN4O6S/c1-13-7-21(36-15-5-6-19(26)18(25)8-15)27-24(14-3-4-14)17(13)9-20(31)29-37(32,33)22-10-23-30(28-22)11-16(34-2)12-35-23/h5-8,10,14,16H,3-4,9,11-12H2,1-2H3,(H,29,31)/t16-/m1/s1
• InChIKey: HABQWADKBZSEEN-MRXNPFEDSA-N
• XLogP: 3.50
• TPSA: 121.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.00
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide?

The IUPAC name of 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide (CID 138579661) is 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide.

What is the SMILES notation for 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide?

The canonical SMILES for 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide is CO[C@H]1COc2cc(S(=O)(=O)NC(=O)Cc3c(C)cc(Oc4ccc(F)c(Cl)c4)nc3C3CC3)nn2C1.

What is the InChIKey of 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide?

The InChIKey is HABQWADKBZSEEN-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24ClFN4O6S/c1-13-7-21(36-15-5-6-19(26)18(25)8-15)27-24(14-3-4-14)17(13)9-20(31)29-37(32,33)22-10-23-30(28-22)11-16(34-2)12-35-23/h5-8,10,14,16H,3-4,9,11-12H2,1-2H3,(H,29,31)/t16-/m1/s1.

What are the key properties of 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide?

2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide has a molecular weight of 551.00 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-methyl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide is sourced from PubChem (CID 138579661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).