4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide

C18H17FN6OS — CID 53190016

IUPAC4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(-c2ncncc2N2CCSCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN6OS/c19-14-3-1-13(2-4-14)18(26)23-15-9-22-25(11-15)17-16(10-20-12-21-17)24-5-7-27-8-6-24/h1-4,9-12H,5-8H2,(H,23,26)
InChIKeyDLCCICROOGPJMR-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.61
Rot. Bonds4

About 4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide

4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide (PubChem CID 53190016) has the molecular formula C18H17FN6OS and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide
PubChem CID53190016
Molecular FormulaC18H17FN6OS
Molecular Weight384.44 g/mol
Exact Mass384.12
IUPAC Name4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(-c2ncncc2N2CCSCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN6OS/c19-14-3-1-13(2-4-14)18(26)23-15-9-22-25(11-15)17-16(10-20-12-21-17)24-5-7-27-8-6-24/h1-4,9-12H,5-8H2,(H,23,26)
InChIKeyDLCCICROOGPJMR-UHFFFAOYSA-N
XLogP2.61
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-chlorophenyl)-3-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]urea
CID 53190108
N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 53190062
2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide
CID 53189946
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 53168039
N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide
CID 53189955
N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide
CID 53167935
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide
CID 53190037
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 53168052
4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide
CID 91629110
1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide
CID 53168050

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide (CID 53190016) is 4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide is O=C(Nc1cnn(-c2ncncc2N2CCSCC2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide?
The InChIKey is DLCCICROOGPJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6OS/c19-14-3-1-13(2-4-14)18(26)23-15-9-22-25(11-15)17-16(10-20-12-21-17)24-5-7-27-8-6-24/h1-4,9-12H,5-8H2,(H,23,26).
What are the key properties of 4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide?
4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 53190016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).