3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H16BrN5O4S — CID 19462160

IUPAC3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nn2cccnc2c1Br
InChIInChI=1S/C17H16BrN5O4S/c18-14-15(21-23-7-1-6-19-16(14)23)17(24)20-12-2-4-13(5-3-12)28(25,26)22-8-10-27-11-9-22/h1-7H,8-11H2,(H,20,24)
InChIKeyIZXQUQYNBMYHDS-UHFFFAOYSA-N
MW466.32 g/mol
LogP1.76
Rot. Bonds4

About 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19462160) has the molecular formula C17H16BrN5O4S and a molecular weight of 466.32 g/mol. Its IUPAC name is 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19462160
Molecular FormulaC17H16BrN5O4S
Molecular Weight466.32 g/mol
Exact Mass465.01
IUPAC Name3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nn2cccnc2c1Br
InChIInChI=1S/C17H16BrN5O4S/c18-14-15(21-23-7-1-6-19-16(14)23)17(24)20-12-2-4-13(5-3-12)28(25,26)22-8-10-27-11-9-22/h1-7H,8-11H2,(H,20,24)
InChIKeyIZXQUQYNBMYHDS-UHFFFAOYSA-N
XLogP1.76
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55817712
2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 4827304
1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea
CID 71655702
2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
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CID 26123616
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
N-(4-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 17015677
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 99942897
N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 3718806
7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38887347

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19462160) is 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nn2cccnc2c1Br.
What is the InChIKey of 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IZXQUQYNBMYHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O4S/c18-14-15(21-23-7-1-6-19-16(14)23)17(24)20-12-2-4-13(5-3-12)28(25,26)22-8-10-27-11-9-22/h1-7H,8-11H2,(H,20,24).
What are the key properties of 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 466.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19462160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).