N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide

C20H23F3N6O2 — CID 43040075

IUPACN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)CCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C20H23F3N6O2/c1-4-28(5-2)16-7-6-13(20(21,22)23)10-15(16)26-17(30)8-9-29-12-24-18-14(19(29)31)11-25-27(18)3/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,26,30)
InChIKeySRAJNPOQCFMJHU-UHFFFAOYSA-N
MW436.44 g/mol
LogP3.02
Rot. Bonds7

About N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide

N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide (PubChem CID 43040075) has the molecular formula C20H23F3N6O2 and a molecular weight of 436.44 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
PubChem CID43040075
Molecular FormulaC20H23F3N6O2
Molecular Weight436.44 g/mol
Exact Mass436.18
IUPAC NameN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)CCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C20H23F3N6O2/c1-4-28(5-2)16-7-6-13(20(21,22)23)10-15(16)26-17(30)8-9-29-12-24-18-14(19(29)31)11-25-27(18)3/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,26,30)
InChIKeySRAJNPOQCFMJHU-UHFFFAOYSA-N
XLogP3.02
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 46691307
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573047
N-[2-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]benzamide
CID 33147932
N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16590379
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-phenylpropanamide
CID 17492925
N-(3-acetamidophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16590618
N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 78807482
N-(4-acetylphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 25399169
N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 43038624
methyl 4,5-dimethoxy-2-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]benzoate
CID 16593148
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 26067761
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenoxy)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The IUPAC name of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide (CID 43040075) is N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide is CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)CCn1cnc2c(cnn2C)c1=O.
What is the InChIKey of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The InChIKey is SRAJNPOQCFMJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6O2/c1-4-28(5-2)16-7-6-13(20(21,22)23)10-15(16)26-17(30)8-9-29-12-24-18-14(19(29)31)11-25-27(18)3/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,26,30).
What are the key properties of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide has a molecular weight of 436.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide is sourced from PubChem (CID 43040075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).