2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide

C24H23F3N4O7S — CID 170143897

IUPAC2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide
SMILESCCc1c(F)c(-c2ccc3c(c2)OC(F)(F)O3)nc(C)c1CC(=O)NS(=O)(=O)c1cc2n(n1)CC(OC)CO2
InChIInChI=1S/C24H23F3N4O7S/c1-4-15-16(8-19(32)30-39(33,34)20-9-21-31(29-20)10-14(35-3)11-36-21)12(2)28-23(22(15)25)13-5-6-17-18(7-13)38-24(26,27)37-17/h5-7,9,14H,4,8,10-11H2,1-3H3,(H,30,32)
InChIKeyJTSVYEOCHHMDKD-UHFFFAOYSA-N
MW568.53 g/mol
LogP2.73
Rot. Bonds7

About 2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide

2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide (PubChem CID 170143897) has the molecular formula C24H23F3N4O7S and a molecular weight of 568.53 g/mol. Its IUPAC name is 2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide.

Molecular Properties

Compound Name2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide
PubChem CID170143897
Molecular FormulaC24H23F3N4O7S
Molecular Weight568.53 g/mol
Exact Mass568.12
IUPAC Name2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide
SMILESCCc1c(F)c(-c2ccc3c(c2)OC(F)(F)O3)nc(C)c1CC(=O)NS(=O)(=O)c1cc2n(n1)CC(OC)CO2
InChIInChI=1S/C24H23F3N4O7S/c1-4-15-16(8-19(32)30-39(33,34)20-9-21-31(29-20)10-14(35-3)11-36-21)12(2)28-23(22(15)25)13-5-6-17-18(7-13)38-24(26,27)37-17/h5-7,9,14H,4,8,10-11H2,1-3H3,(H,30,32)
InChIKeyJTSVYEOCHHMDKD-UHFFFAOYSA-N
XLogP2.73
TPSA130.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.53
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide?
The IUPAC name of 2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide (CID 170143897) is 2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(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-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide?
The canonical SMILES for 2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide is CCc1c(F)c(-c2ccc3c(c2)OC(F)(F)O3)nc(C)c1CC(=O)NS(=O)(=O)c1cc2n(n1)CC(OC)CO2.
What is the InChIKey of 2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide?
The InChIKey is JTSVYEOCHHMDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O7S/c1-4-15-16(8-19(32)30-39(33,34)20-9-21-31(29-20)10-14(35-3)11-36-21)12(2)28-23(22(15)25)13-5-6-17-18(7-13)38-24(26,27)37-17/h5-7,9,14H,4,8,10-11H2,1-3H3,(H,30,32).
What are the key properties of 2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide?
2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide has a molecular weight of 568.53 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-5-fluoro-2-methyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide is sourced from PubChem (CID 170143897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).