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

C27H31N7O2 — CID 123215405

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

[2-[6-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (PubChem CID 123215405) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is [2-[6-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [2-[6-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
• PubChem CID: 123215405
• Molecular Formula: C27H31N7O2
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.25
• IUPAC Name: [2-[6-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
• SMILES: Cc1noc(-c2ccccc2C(=O)N2CCCCC2c2cc3nc(N4CCC(C)C4)c(C)cn3n2)n1
• InChI: InChI=1S/C27H31N7O2/c1-17-11-13-32(15-17)25-18(2)16-34-24(29-25)14-22(30-34)23-10-6-7-12-33(23)27(35)21-9-5-4-8-20(21)26-28-19(3)31-36-26/h4-5,8-9,14,16-17,23H,6-7,10-13,15H2,1-3H3
• InChIKey: GSZUTQDYBXYRRQ-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 92.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [2-[6-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (CID 123215405) is [2-[6-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[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 [2-[6-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?

The canonical SMILES for [2-[6-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is Cc1noc(-c2ccccc2C(=O)N2CCCCC2c2cc3nc(N4CCC(C)C4)c(C)cn3n2)n1.

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

The InChIKey is GSZUTQDYBXYRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-17-11-13-32(15-17)25-18(2)16-34-24(29-25)14-22(30-34)23-10-6-7-12-33(23)27(35)21-9-5-4-8-20(21)26-28-19(3)31-36-26/h4-5,8-9,14,16-17,23H,6-7,10-13,15H2,1-3H3.

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

[2-[6-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[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 485.59 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[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 123215405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).