N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide

C25H31N5O3S — CID 58029853

About N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide

N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide (PubChem CID 58029853) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide
• PubChem CID: 58029853
• Molecular Formula: C25H31N5O3S
• Molecular Weight: 481.62 g/mol
• Exact Mass: 481.21
• IUPAC Name: N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide
• SMILES: Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)[C@@](C)(NS(C)(=O)=O)c3ccccc3)nn12
• InChI: InChI=1S/C25H31N5O3S/c1-17-15-20(18-12-13-18)26-23-16-21(27-30(17)23)22-11-7-8-14-29(22)24(31)25(2,28-34(3,32)33)19-9-5-4-6-10-19/h4-6,9-10,15-16,18,22,28H,7-8,11-14H2,1-3H3/t22-,25-/m0/s1
• InChIKey: MYCNPBNGLBSCBE-DHLKQENFSA-N
• XLogP: 3.43
• TPSA: 96.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.62
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide?

The IUPAC name of N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide (CID 58029853) is N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide.

What is the SMILES notation for N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide?

The canonical SMILES for N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide is Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)[C@@](C)(NS(C)(=O)=O)c3ccccc3)nn12.

What is the InChIKey of N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide?

The InChIKey is MYCNPBNGLBSCBE-DHLKQENFSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-17-15-20(18-12-13-18)26-23-16-21(27-30(17)23)22-11-7-8-14-29(22)24(31)25(2,28-34(3,32)33)19-9-5-4-6-10-19/h4-6,9-10,15-16,18,22,28H,7-8,11-14H2,1-3H3/t22-,25-/m0/s1.

What are the key properties of N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide?

N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide has a molecular weight of 481.62 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 58029853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).