N-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide

C23H25N5O4S — CID 177044986

IUPACN-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1cnn2c(NCCOCCO)cc(-c3ccccc3)nc12
InChIInChI=1S/C23H25N5O4S/c1-33(30,31)27-20-10-6-5-9-18(20)19-16-25-28-22(24-11-13-32-14-12-29)15-21(26-23(19)28)17-7-3-2-4-8-17/h2-10,15-16,24,27,29H,11-14H2,1H3
InChIKeyXLHWTPPLRLHXAF-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.86
Rot. Bonds10

About N-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide

N-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide (PubChem CID 177044986) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide
PubChem CID177044986
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC NameN-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1cnn2c(NCCOCCO)cc(-c3ccccc3)nc12
InChIInChI=1S/C23H25N5O4S/c1-33(30,31)27-20-10-6-5-9-18(20)19-16-25-28-22(24-11-13-32-14-12-29)15-21(26-23(19)28)17-7-3-2-4-8-17/h2-10,15-16,24,27,29H,11-14H2,1H3
InChIKeyXLHWTPPLRLHXAF-UHFFFAOYSA-N
XLogP2.86
TPSA117.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]benzoate
CID 177044933
2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol
CID 177044949
2-[2-[(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol
CID 4870814
N-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 4971357
N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 163872773
3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 34956849
5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5183680
5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3746157
[2-[4-[[5-(2-hydroxyphenyl)-3-phosphanylpyrazolo[1,5-a]pyrimidin-7-yl]amino]butylsulfamoyl]-3,5-dimethylphenyl]mercury
CID 142871259
3-(4-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893000
4-[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]but-1-en-2-ol
CID 89234647
CID 89056124
CID 89056124

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide (CID 177044986) is N-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1cnn2c(NCCOCCO)cc(-c3ccccc3)nc12.
What is the InChIKey of N-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide?
The InChIKey is XLHWTPPLRLHXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-33(30,31)27-20-10-6-5-9-18(20)19-16-25-28-22(24-11-13-32-14-12-29)15-21(26-23(19)28)17-7-3-2-4-8-17/h2-10,15-16,24,27,29H,11-14H2,1H3.
What are the key properties of N-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide?
N-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide has a molecular weight of 467.55 g/mol, XLogP of 2.86, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 177044986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).