2-[6-(4-chloro-3-fluorophenyl)-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

C23H23ClF2N4O5S — CID 170144585

IUPAC2-[6-(4-chloro-3-fluorophenyl)-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(-c2ccc(Cl)c(F)c2)nc(C)c1CC(=O)NS(=O)(=O)c1cc2n(n1)CC(OC)CO2
InChIInChI=1S/C23H23ClF2N4O5S/c1-4-15-16(12(2)27-23(22(15)26)13-5-6-17(24)18(25)7-13)8-19(31)29-36(32,33)20-9-21-30(28-20)10-14(34-3)11-35-21/h5-7,9,14H,4,8,10-11H2,1-3H3,(H,29,31)
InChIKeyDIVJMFPZRZRLDU-UHFFFAOYSA-N
MW540.98 g/mol
LogP3.20
Rot. Bonds7

About 2-[6-(4-chloro-3-fluorophenyl)-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-(4-chloro-3-fluorophenyl)-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 170144585) has the molecular formula C23H23ClF2N4O5S and a molecular weight of 540.98 g/mol. Its IUPAC name is 2-[6-(4-chloro-3-fluorophenyl)-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-(4-chloro-3-fluorophenyl)-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 CID170144585
Molecular FormulaC23H23ClF2N4O5S
Molecular Weight540.98 g/mol
Exact Mass540.10
IUPAC Name2-[6-(4-chloro-3-fluorophenyl)-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(-c2ccc(Cl)c(F)c2)nc(C)c1CC(=O)NS(=O)(=O)c1cc2n(n1)CC(OC)CO2
InChIInChI=1S/C23H23ClF2N4O5S/c1-4-15-16(12(2)27-23(22(15)26)13-5-6-17(24)18(25)7-13)8-19(31)29-36(32,33)20-9-21-30(28-20)10-14(34-3)11-35-21/h5-7,9,14H,4,8,10-11H2,1-3H3,(H,29,31)
InChIKeyDIVJMFPZRZRLDU-UHFFFAOYSA-N
XLogP3.20
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.98
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-(4-chloro-3-fluorophenyl)-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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Related Compounds

CID 138579542
CID 138579542
CID 138579660
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CID 138579661
CID 138579661
CID 138579761
CID 138579761
CID 142561587
CID 142561587
CID 142561622
CID 142561622
CID 166008147
CID 166008147
CID 166008192
CID 166008192
CID 166008232
CID 166008232
CID 170143895
CID 170143895
CID 170143896
CID 170143896

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chloro-3-fluorophenyl)-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-(4-chloro-3-fluorophenyl)-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 170144585) is 2-[6-(4-chloro-3-fluorophenyl)-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-(4-chloro-3-fluorophenyl)-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-(4-chloro-3-fluorophenyl)-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(-c2ccc(Cl)c(F)c2)nc(C)c1CC(=O)NS(=O)(=O)c1cc2n(n1)CC(OC)CO2.
What is the InChIKey of 2-[6-(4-chloro-3-fluorophenyl)-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 DIVJMFPZRZRLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N4O5S/c1-4-15-16(12(2)27-23(22(15)26)13-5-6-17(24)18(25)7-13)8-19(31)29-36(32,33)20-9-21-30(28-20)10-14(34-3)11-35-21/h5-7,9,14H,4,8,10-11H2,1-3H3,(H,29,31).
What are the key properties of 2-[6-(4-chloro-3-fluorophenyl)-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-(4-chloro-3-fluorophenyl)-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 540.98 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chloro-3-fluorophenyl)-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 170144585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).