N-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide

C19H28FN5O2S — CID 137459103

IUPACN-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide
SMILESCC(C)c1ncc(F)c(C(C)C)c1CC(=O)N=S(N)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C19H28FN5O2S/c1-11(2)18-14(19(12(3)4)22-10-15(18)20)9-16(26)24-28(21,27)17-7-8-25(23-17)13(5)6/h7-8,10-13H,9H2,1-6H3,(H2,21,24,26,27)
InChIKeyCSQCYFDGYJWNEI-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.71
Rot. Bonds6

About N-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide

N-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide (PubChem CID 137459103) has the molecular formula C19H28FN5O2S and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide
PubChem CID137459103
Molecular FormulaC19H28FN5O2S
Molecular Weight409.53 g/mol
Exact Mass409.19
IUPAC NameN-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide
SMILESCC(C)c1ncc(F)c(C(C)C)c1CC(=O)N=S(N)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C19H28FN5O2S/c1-11(2)18-14(19(12(3)4)22-10-15(18)20)9-16(26)24-28(21,27)17-7-8-25(23-17)13(5)6/h7-8,10-13H,9H2,1-6H3,(H2,21,24,26,27)
InChIKeyCSQCYFDGYJWNEI-UHFFFAOYSA-N
XLogP3.71
TPSA103.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11530200, Example 9
CID 155464035
US11530200, Example 2
CID 155463940
US11530200, Example 11
CID 155464272
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 53183541
N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl]acetamide
CID 53340976
N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-4-fluorophenyl]acetamide
CID 53341179
N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide
CID 53341475
N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(2-fluorophenyl)sulfonylacetamide
CID 53341562
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide
CID 58292173
N-methylsulfonyl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]butanamide
CID 89953839
1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide
CID 90870181
7-ethyl-1-(4-fluorophenyl)-N-[1-[5-(methylsulfamoyl)-3-pyridinyl]butyl]-6H-cyclohepta[d]pyrazole-4-carboxamide
CID 91108848

Frequently Asked Questions

What is the IUPAC name of N-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide (CID 137459103) is N-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide is CC(C)c1ncc(F)c(C(C)C)c1CC(=O)N=S(N)(=O)c1ccn(C(C)C)n1.
What is the InChIKey of N-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide?
The InChIKey is CSQCYFDGYJWNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN5O2S/c1-11(2)18-14(19(12(3)4)22-10-15(18)20)9-16(26)24-28(21,27)17-7-8-25(23-17)13(5)6/h7-8,10-13H,9H2,1-6H3,(H2,21,24,26,27).
What are the key properties of N-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide?
N-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-λ6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 137459103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).