[(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

C27H31N7O3 — CID 131996275

About [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

[(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (PubChem CID 131996275) has the molecular formula C27H31N7O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
• PubChem CID: 131996275
• Molecular Formula: C27H31N7O3
• Molecular Weight: 501.59 g/mol
• Exact Mass: 501.25
• IUPAC Name: [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
• SMILES: Cc1noc(-c2ccccc2C(=O)N2CCCC[C@H]2c2cc3nc(N4C[C@@H](C)[C@@H](O)C4)c(C)cn3n2)n1
• InChI: InChI=1S/C27H31N7O3/c1-16-13-32(15-23(16)35)25-17(2)14-34-24(29-25)12-21(30-34)22-10-6-7-11-33(22)27(36)20-9-5-4-8-19(20)26-28-18(3)31-37-26/h4-5,8-9,12,14,16,22-23,35H,6-7,10-11,13,15H2,1-3H3/t16-,22+,23+/m1/s1
• InChIKey: MVJPUNNJMYWOGR-XARZLDAJSA-N
• XLogP: 3.58
• TPSA: 112.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.59
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?

The IUPAC name of [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (CID 131996275) is [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.

What is the SMILES notation for [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?

The canonical SMILES for [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is Cc1noc(-c2ccccc2C(=O)N2CCCC[C@H]2c2cc3nc(N4C[C@@H](C)[C@@H](O)C4)c(C)cn3n2)n1.

What is the InChIKey of [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?

The InChIKey is MVJPUNNJMYWOGR-XARZLDAJSA-N. The full InChI is InChI=1S/C27H31N7O3/c1-16-13-32(15-23(16)35)25-17(2)14-34-24(29-25)12-21(30-34)22-10-6-7-11-33(22)27(36)20-9-5-4-8-19(20)26-28-18(3)31-37-26/h4-5,8-9,12,14,16,22-23,35H,6-7,10-11,13,15H2,1-3H3/t16-,22+,23+/m1/s1.

What are the key properties of [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?

[(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone has a molecular weight of 501.59 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is sourced from PubChem (CID 131996275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).