N-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide

C21H24N6O5S — CID 71694780

IUPACN-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
SMILESCc1cc(=O)n2[nH]c(N(C)C(=O)C(=O)N3CCN(C)CC3)c(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C21H24N6O5S/c1-14-13-16(28)27-18(22-14)17(33(31,32)15-7-5-4-6-8-15)19(23-27)25(3)20(29)21(30)26-11-9-24(2)10-12-26/h4-8,13,23H,9-12H2,1-3H3
InChIKeyQCPJPPHWJNFZDI-UHFFFAOYSA-N
MW472.53 g/mol
LogP-0.10
Rot. Bonds3

About N-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide

N-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide (PubChem CID 71694780) has the molecular formula C21H24N6O5S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
PubChem CID71694780
Molecular FormulaC21H24N6O5S
Molecular Weight472.53 g/mol
Exact Mass472.15
IUPAC NameN-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
SMILESCc1cc(=O)n2[nH]c(N(C)C(=O)C(=O)N3CCN(C)CC3)c(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C21H24N6O5S/c1-14-13-16(28)27-18(22-14)17(33(31,32)15-7-5-4-6-8-15)19(23-27)25(3)20(29)21(30)26-11-9-24(2)10-12-26/h4-8,13,23H,9-12H2,1-3H3
InChIKeyQCPJPPHWJNFZDI-UHFFFAOYSA-N
XLogP-0.10
TPSA128.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide (CID 71694780) is N-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide is Cc1cc(=O)n2[nH]c(N(C)C(=O)C(=O)N3CCN(C)CC3)c(S(=O)(=O)c3ccccc3)c2n1.
What is the InChIKey of N-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The InChIKey is QCPJPPHWJNFZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O5S/c1-14-13-16(28)27-18(22-14)17(33(31,32)15-7-5-4-6-8-15)19(23-27)25(3)20(29)21(30)26-11-9-24(2)10-12-26/h4-8,13,23H,9-12H2,1-3H3.
What are the key properties of N-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
N-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide has a molecular weight of 472.53 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 71694780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).