N-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C24H26N4OS — CID 20863355

IUPACN-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)NC(C)c1cccs1
InChIInChI=1S/C24H26N4OS/c1-15-20(12-13-22(29)25-16(2)21-11-8-14-30-21)18(4)28-24(26-15)23(17(3)27-28)19-9-6-5-7-10-19/h5-11,14,16H,12-13H2,1-4H3,(H,25,29)
InChIKeyCMBAEEXLRWMZDN-UHFFFAOYSA-N
MW418.57 g/mol
LogP5.19
Rot. Bonds6

About N-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 20863355) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID20863355
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC NameN-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)NC(C)c1cccs1
InChIInChI=1S/C24H26N4OS/c1-15-20(12-13-22(29)25-16(2)21-11-8-14-30-21)18(4)28-24(26-15)23(17(3)27-28)19-9-6-5-7-10-19/h5-11,14,16H,12-13H2,1-4H3,(H,25,29)
InChIKeyCMBAEEXLRWMZDN-UHFFFAOYSA-N
XLogP5.19
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.57
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
CID 20863045
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 18110968
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-thiophen-2-ylethyl)propanamide
CID 46664157
methyl 2-[3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzoate
CID 20863327
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 18198236
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 31110120
N-(pyridin-2-ylmethyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 23603845
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 135667488
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 46568330
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide
CID 20863104
3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 71563426

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 20863355) is N-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)NC(C)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is CMBAEEXLRWMZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-15-20(12-13-22(29)25-16(2)21-11-8-14-30-21)18(4)28-24(26-15)23(17(3)27-28)19-9-6-5-7-10-19/h5-11,14,16H,12-13H2,1-4H3,(H,25,29).
What are the key properties of N-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 418.57 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 20863355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).