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

C20H19N5O3S — CID 59662357

IUPACN-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(Nc2ccn3ncc(-c4cccc(O)c4)c3n2)cc1NS(C)(=O)=O
InChIInChI=1S/C20H19N5O3S/c1-13-6-7-15(11-18(13)24-29(2,27)28)22-19-8-9-25-20(23-19)17(12-21-25)14-4-3-5-16(26)10-14/h3-12,24,26H,1-2H3,(H,22,23)
InChIKeyCLRKEAJMVNEVIS-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.53
Rot. Bonds5

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

N-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide (PubChem CID 59662357) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide
PubChem CID59662357
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(Nc2ccn3ncc(-c4cccc(O)c4)c3n2)cc1NS(C)(=O)=O
InChIInChI=1S/C20H19N5O3S/c1-13-6-7-15(11-18(13)24-29(2,27)28)22-19-8-9-25-20(23-19)17(12-21-25)14-4-3-5-16(26)10-14/h3-12,24,26H,1-2H3,(H,22,23)
InChIKeyCLRKEAJMVNEVIS-UHFFFAOYSA-N
XLogP3.53
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide (CID 59662357) is N-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide is Cc1ccc(Nc2ccn3ncc(-c4cccc(O)c4)c3n2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide?
The InChIKey is CLRKEAJMVNEVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-13-6-7-15(11-18(13)24-29(2,27)28)22-19-8-9-25-20(23-19)17(12-21-25)14-4-3-5-16(26)10-14/h3-12,24,26H,1-2H3,(H,22,23).
What are the key properties of N-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide?
N-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 59662357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).