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

C24H33N5OS — CID 125024557

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

3-[5,7-dimethyl-2-[(2R)-1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide (PubChem CID 125024557) 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-[(5-methylthiophen-3-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 3-[5,7-dimethyl-2-[(2R)-1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
• PubChem CID: 125024557
• Molecular Formula: C24H33N5OS
• Molecular Weight: 439.63 g/mol
• Exact Mass: 439.24
• IUPAC Name: 3-[5,7-dimethyl-2-[(2R)-1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
• SMILES: Cc1cc(CN2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)cs1
• InChI: InChI=1S/C24H33N5OS/c1-15(2)25-24(30)9-8-20-17(4)26-23-12-21(27-29(23)18(20)5)22-7-6-10-28(22)13-19-11-16(3)31-14-19/h11-12,14-15,22H,6-10,13H2,1-5H3,(H,25,30)/t22-/m1/s1
• InChIKey: ZGPCSBSZTRGBSM-JOCHJYFZSA-N
• XLogP: 4.51
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• 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-[(5-methylthiophen-3-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?

The IUPAC name of 3-[5,7-dimethyl-2-[(2R)-1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide (CID 125024557) is 3-[5,7-dimethyl-2-[(2R)-1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide.

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

The canonical SMILES for 3-[5,7-dimethyl-2-[(2R)-1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide is Cc1cc(CN2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)cs1.

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

The InChIKey is ZGPCSBSZTRGBSM-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H33N5OS/c1-15(2)25-24(30)9-8-20-17(4)26-23-12-21(27-29(23)18(20)5)22-7-6-10-28(22)13-19-11-16(3)31-14-19/h11-12,14-15,22H,6-10,13H2,1-5H3,(H,25,30)/t22-/m1/s1.

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

3-[5,7-dimethyl-2-[(2R)-1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide has a molecular weight of 439.63 g/mol, XLogP of 4.51, 7 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-[(5-methylthiophen-3-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 125024557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).