N-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide

C22H19N5O3S — CID 24865833

IUPACN-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(Nc2ccn3ncc(-c4cc5ccccc5o4)c3n2)cc1NS(C)(=O)=O
InChIInChI=1S/C22H19N5O3S/c1-14-7-8-16(12-18(14)26-31(2,28)29)24-21-9-10-27-22(25-21)17(13-23-27)20-11-15-5-3-4-6-19(15)30-20/h3-13,26H,1-2H3,(H,24,25)
InChIKeyUBAODCNPHALFJZ-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.57
Rot. Bonds5

About N-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide

N-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide (PubChem CID 24865833) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide
PubChem CID24865833
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(Nc2ccn3ncc(-c4cc5ccccc5o4)c3n2)cc1NS(C)(=O)=O
InChIInChI=1S/C22H19N5O3S/c1-14-7-8-16(12-18(14)26-31(2,28)29)24-21-9-10-27-22(25-21)17(13-23-27)20-11-15-5-3-4-6-19(15)30-20/h3-13,26H,1-2H3,(H,24,25)
InChIKeyUBAODCNPHALFJZ-UHFFFAOYSA-N
XLogP4.57
TPSA101.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide (CID 24865833) is N-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide is Cc1ccc(Nc2ccn3ncc(-c4cc5ccccc5o4)c3n2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide?
The InChIKey is UBAODCNPHALFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-14-7-8-16(12-18(14)26-31(2,28)29)24-21-9-10-27-22(25-21)17(13-23-27)20-11-15-5-3-4-6-19(15)30-20/h3-13,26H,1-2H3,(H,24,25).
What are the key properties of N-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide?
N-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide has a molecular weight of 433.49 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 24865833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).