2-[6-(4-chloro-3-fluorophenyl)-5-fluoro-4-propan-2-yl-2-propyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide

C26H29ClF2N4O5S — CID 142561622

IUPAC2-[6-(4-chloro-3-fluorophenyl)-5-fluoro-4-propan-2-yl-2-propyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide
SMILESCCCc1nc(-c2ccc(Cl)c(F)c2)c(F)c(C(C)C)c1CC(=O)NS(=O)(=O)c1cc2n(n1)CC(OC)CO2
InChIInChI=1S/C26H29ClF2N4O5S/c1-5-6-20-17(24(14(2)3)25(29)26(30-20)15-7-8-18(27)19(28)9-15)10-21(34)32-39(35,36)22-11-23-33(31-22)12-16(37-4)13-38-23/h7-9,11,14,16H,5-6,10,12-13H2,1-4H3,(H,32,34)
InChIKeyISVFUUXUFOOEHU-UHFFFAOYSA-N
MW583.06 g/mol
LogP4.41
Rot. Bonds9

About 2-[6-(4-chloro-3-fluorophenyl)-5-fluoro-4-propan-2-yl-2-propyl-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)-5-fluoro-4-propan-2-yl-2-propyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide (PubChem CID 142561622) has the molecular formula C26H29ClF2N4O5S and a molecular weight of 583.06 g/mol. Its IUPAC name is 2-[6-(4-chloro-3-fluorophenyl)-5-fluoro-4-propan-2-yl-2-propyl-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)-5-fluoro-4-propan-2-yl-2-propyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide
PubChem CID142561622
Molecular FormulaC26H29ClF2N4O5S
Molecular Weight583.06 g/mol
Exact Mass582.15
IUPAC Name2-[6-(4-chloro-3-fluorophenyl)-5-fluoro-4-propan-2-yl-2-propyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide
SMILESCCCc1nc(-c2ccc(Cl)c(F)c2)c(F)c(C(C)C)c1CC(=O)NS(=O)(=O)c1cc2n(n1)CC(OC)CO2
InChIInChI=1S/C26H29ClF2N4O5S/c1-5-6-20-17(24(14(2)3)25(29)26(30-20)15-7-8-18(27)19(28)9-15)10-21(34)32-39(35,36)22-11-23-33(31-22)12-16(37-4)13-38-23/h7-9,11,14,16H,5-6,10,12-13H2,1-4H3,(H,32,34)
InChIKeyISVFUUXUFOOEHU-UHFFFAOYSA-N
XLogP4.41
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.06
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-(4-chloro-3-fluorophenyl)-5-fluoro-4-propan-2-yl-2-propyl-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
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CID 138579661
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CID 142561587
CID 142561587
CID 166008147
CID 166008147
CID 166008192
CID 166008192
CID 166008232
CID 166008232
CID 166008246
CID 166008246
CID 170143895
CID 170143895
CID 170143896
CID 170143896
CID 170144585
CID 170144585

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chloro-3-fluorophenyl)-5-fluoro-4-propan-2-yl-2-propyl-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)-5-fluoro-4-propan-2-yl-2-propyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide (CID 142561622) is 2-[6-(4-chloro-3-fluorophenyl)-5-fluoro-4-propan-2-yl-2-propyl-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)-5-fluoro-4-propan-2-yl-2-propyl-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)-5-fluoro-4-propan-2-yl-2-propyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide is CCCc1nc(-c2ccc(Cl)c(F)c2)c(F)c(C(C)C)c1CC(=O)NS(=O)(=O)c1cc2n(n1)CC(OC)CO2.
What is the InChIKey of 2-[6-(4-chloro-3-fluorophenyl)-5-fluoro-4-propan-2-yl-2-propyl-3-pyridinyl]-N-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)sulfonyl]acetamide?
The InChIKey is ISVFUUXUFOOEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClF2N4O5S/c1-5-6-20-17(24(14(2)3)25(29)26(30-20)15-7-8-18(27)19(28)9-15)10-21(34)32-39(35,36)22-11-23-33(31-22)12-16(37-4)13-38-23/h7-9,11,14,16H,5-6,10,12-13H2,1-4H3,(H,32,34).
What are the key properties of 2-[6-(4-chloro-3-fluorophenyl)-5-fluoro-4-propan-2-yl-2-propyl-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)-5-fluoro-4-propan-2-yl-2-propyl-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 583.06 g/mol, XLogP of 4.41, 9 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)-5-fluoro-4-propan-2-yl-2-propyl-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 142561622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).