2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H19N5O4S — CID 127039005

IUPAC2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c(C)c(S(=O)(=O)c4ccccc4)nn23)c1
InChIInChI=1S/C21H19N5O4S/c1-13-19-23-12-17(18(22)27)20(24-14-7-6-8-15(11-14)30-2)26(19)25-21(13)31(28,29)16-9-4-3-5-10-16/h3-12,24H,1-2H3,(H2,22,27)
InChIKeyRRKOMNZJZUGUEB-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.72
Rot. Bonds6

About 2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 127039005) has the molecular formula C21H19N5O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID127039005
Molecular FormulaC21H19N5O4S
Molecular Weight437.48 g/mol
Exact Mass437.12
IUPAC Name2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c(C)c(S(=O)(=O)c4ccccc4)nn23)c1
InChIInChI=1S/C21H19N5O4S/c1-13-19-23-12-17(18(22)27)20(24-14-7-6-8-15(11-14)30-2)26(19)25-21(13)31(28,29)16-9-4-3-5-10-16/h3-12,24H,1-2H3,(H2,22,27)
InChIKeyRRKOMNZJZUGUEB-UHFFFAOYSA-N
XLogP2.72
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(3-methoxy-phenyl)-amine
CID 49838518
6-(1,1-Dioxidothiomorpholin-4-Yl)-N-(3-Methoxyphenyl)-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 49817355
Pyrazolopyrimidine derivative 56
CID 90725181
Pyrazolopyrimidine derivative 40
CID 90794095
Pyrazolopyrimidine derivative 39
CID 91020834
2-[3-(Dimethylcarbamoyl)phenyl]sulfonyl-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 127039007
8-(3-Methoxyanilino)-4-methyl-5-methylsulfonyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-10-one
CID 127040006
2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 2042966
Pyrazolopyrimidine 2
CID 9604948
4-[(E)-[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]-N-(2-methylsulfonylethyl)benzamide
CID 9604963
1-(3-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239986
N-(3-methoxyphenyl)-2-((3-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
CID 5310337

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 127039005) is 2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3c(C)c(S(=O)(=O)c4ccccc4)nn23)c1.
What is the InChIKey of 2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is RRKOMNZJZUGUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S/c1-13-19-23-12-17(18(22)27)20(24-14-7-6-8-15(11-14)30-2)26(19)25-21(13)31(28,29)16-9-4-3-5-10-16/h3-12,24H,1-2H3,(H2,22,27).
What are the key properties of 2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-7-(3-methoxyanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 127039005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).