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

C26H28ClFN4O6S — CID 166008192

IUPAC2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-propan-2-yl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide
SMILESCO[C@H]1COc2cc(S(=O)(=O)NC(=O)Cc3c(C(C)C)cc(Oc4ccc(F)c(Cl)c4)nc3C3CC3)nn2C1
InChIInChI=1S/C26H28ClFN4O6S/c1-14(2)18-10-23(38-16-6-7-21(28)20(27)8-16)29-26(15-4-5-15)19(18)9-22(33)31-39(34,35)24-11-25-32(30-24)12-17(36-3)13-37-25/h6-8,10-11,14-15,17H,4-5,9,12-13H2,1-3H3,(H,31,33)/t17-/m1/s1
InChIKeyGQQGRSRPUWWQAG-QGZVFWFLSA-N
MW579.05 g/mol
LogP4.32
Rot. Bonds9

About 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-propan-2-yl-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-propan-2-yl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide (PubChem CID 166008192) has the molecular formula C26H28ClFN4O6S and a molecular weight of 579.05 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-propan-2-yl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide.

Molecular Properties

Compound Name2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-propan-2-yl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide
PubChem CID166008192
Molecular FormulaC26H28ClFN4O6S
Molecular Weight579.05 g/mol
Exact Mass578.14
IUPAC Name2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-propan-2-yl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide
SMILESCO[C@H]1COc2cc(S(=O)(=O)NC(=O)Cc3c(C(C)C)cc(Oc4ccc(F)c(Cl)c4)nc3C3CC3)nn2C1
InChIInChI=1S/C26H28ClFN4O6S/c1-14(2)18-10-23(38-16-6-7-21(28)20(27)8-16)29-26(15-4-5-15)19(18)9-22(33)31-39(34,35)24-11-25-32(30-24)12-17(36-3)13-37-25/h6-8,10-11,14-15,17H,4-5,9,12-13H2,1-3H3,(H,31,33)/t17-/m1/s1
InChIKeyGQQGRSRPUWWQAG-QGZVFWFLSA-N
XLogP4.32
TPSA121.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.05
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-propan-2-yl-3-pyridinyl]-N-[[(6R)-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 138579660
CID 138579660
CID 138579661
CID 138579661
CID 138579662
CID 138579662
CID 142561622
CID 142561622
CID 166008166
CID 166008166
CID 166008211
CID 166008211
CID 166008232
CID 166008232
CID 170143896
CID 170143896
CID 170143897
CID 170143897
CID 170143903
CID 170143903
CID 170144585
CID 170144585

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-propan-2-yl-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-propan-2-yl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide (CID 166008192) is 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-propan-2-yl-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-propan-2-yl-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-propan-2-yl-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(C)C)cc(Oc4ccc(F)c(Cl)c4)nc3C3CC3)nn2C1.
What is the InChIKey of 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-propan-2-yl-3-pyridinyl]-N-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]sulfonyl]acetamide?
The InChIKey is GQQGRSRPUWWQAG-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H28ClFN4O6S/c1-14(2)18-10-23(38-16-6-7-21(28)20(27)8-16)29-26(15-4-5-15)19(18)9-22(33)31-39(34,35)24-11-25-32(30-24)12-17(36-3)13-37-25/h6-8,10-11,14-15,17H,4-5,9,12-13H2,1-3H3,(H,31,33)/t17-/m1/s1.
What are the key properties of 2-[6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-4-propan-2-yl-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-propan-2-yl-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 579.05 g/mol, XLogP of 4.32, 9 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-propan-2-yl-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 166008192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).