N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide

C19H24N6O4S — CID 43038624

IUPACN-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1
InChIInChI=1S/C19H24N6O4S/c1-4-25(5-2)30(28,29)15-8-6-14(7-9-15)22-17(26)10-11-24-13-20-18-16(19(24)27)12-21-23(18)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,26)
InChIKeyUPVQWGJSGPDDOG-UHFFFAOYSA-N
MW432.51 g/mol
LogP1.19
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide

N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide (PubChem CID 43038624) has the molecular formula C19H24N6O4S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
PubChem CID43038624
Molecular FormulaC19H24N6O4S
Molecular Weight432.51 g/mol
Exact Mass432.16
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1
InChIInChI=1S/C19H24N6O4S/c1-4-25(5-2)30(28,29)15-8-6-14(7-9-15)22-17(26)10-11-24-13-20-18-16(19(24)27)12-21-23(18)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,26)
InChIKeyUPVQWGJSGPDDOG-UHFFFAOYSA-N
XLogP1.19
TPSA119.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 43039486
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-phenylpropanamide
CID 17492925
N-(4-acetylphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 25399169
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 55487296
N-(3-acetamidophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16590618
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 16599002
N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 46570096
N-(4-bromophenyl)-3-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]propanamide
CID 55951076
N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16590379
N-[2-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]benzamide
CID 33147932
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 24589483
N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 46467529

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide (CID 43038624) is N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The InChIKey is UPVQWGJSGPDDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4S/c1-4-25(5-2)30(28,29)15-8-6-14(7-9-15)22-17(26)10-11-24-13-20-18-16(19(24)27)12-21-23(18)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,26).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide has a molecular weight of 432.51 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide is sourced from PubChem (CID 43038624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).