3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide

C24H33N5OS — CID 124944946

About 3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide

3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide (PubChem CID 124944946) has the molecular formula C24H33N5OS and a molecular weight of 439.63 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide.

Molecular Properties

• Compound Name: 3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
• PubChem CID: 124944946
• Molecular Formula: C24H33N5OS
• Molecular Weight: 439.63 g/mol
• Exact Mass: 439.24
• IUPAC Name: 3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
• SMILES: CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCN3Cc3sccc3C)nn2c1C
• InChI: InChI=1S/C24H33N5OS/c1-5-11-25-24(30)9-8-19-17(3)26-23-14-20(27-29(23)18(19)4)21-7-6-12-28(21)15-22-16(2)10-13-31-22/h10,13-14,21H,5-9,11-12,15H2,1-4H3,(H,25,30)/t21-/m1/s1
• InChIKey: BNMCOWRVSWMBRG-OAQYLSRUSA-N
• XLogP: 4.51
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.63
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?

The IUPAC name of 3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide (CID 124944946) is 3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide.

What is the SMILES notation for 3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?

The canonical SMILES for 3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide is CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCN3Cc3sccc3C)nn2c1C.

What is the InChIKey of 3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?

The InChIKey is BNMCOWRVSWMBRG-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H33N5OS/c1-5-11-25-24(30)9-8-19-17(3)26-23-14-20(27-29(23)18(19)4)21-7-6-12-28(21)15-22-16(2)10-13-31-22/h10,13-14,21H,5-9,11-12,15H2,1-4H3,(H,25,30)/t21-/m1/s1.

What are the key properties of 3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?

3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide has a molecular weight of 439.63 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide is sourced from PubChem (CID 124944946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).