[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone

C24H36N8O2 — CID 140573459

About [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone

[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone (PubChem CID 140573459) has the molecular formula C24H36N8O2 and a molecular weight of 468.61 g/mol. Its IUPAC name is [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone
• PubChem CID: 140573459
• Molecular Formula: C24H36N8O2
• Molecular Weight: 468.61 g/mol
• Exact Mass: 468.30
• IUPAC Name: [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone
• SMILES: Cc1cn2nc([C@@H]3CCCCN3C(=O)C3CC(C4CCCO4)NN3)cc2nc1N1CC[C@H](N)C1
• InChI: InChI=1S/C24H36N8O2/c1-15-13-32-22(26-23(15)30-9-7-16(25)14-30)12-17(29-32)20-5-2-3-8-31(20)24(33)19-11-18(27-28-19)21-6-4-10-34-21/h12-13,16,18-21,27-28H,2-11,14,25H2,1H3/t16-,18?,19?,20-,21?/m0/s1
• InChIKey: KZXKQNKOHMOMHE-XWAAWYQISA-N
• XLogP: 1.04
• TPSA: 113.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.61
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone?

The IUPAC name of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone (CID 140573459) is [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone.

What is the SMILES notation for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone?

The canonical SMILES for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone is Cc1cn2nc([C@@H]3CCCCN3C(=O)C3CC(C4CCCO4)NN3)cc2nc1N1CC[C@H](N)C1.

What is the InChIKey of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone?

The InChIKey is KZXKQNKOHMOMHE-XWAAWYQISA-N. The full InChI is InChI=1S/C24H36N8O2/c1-15-13-32-22(26-23(15)30-9-7-16(25)14-30)12-17(29-32)20-5-2-3-8-31(20)24(33)19-11-18(27-28-19)21-6-4-10-34-21/h12-13,16,18-21,27-28H,2-11,14,25H2,1H3/t16-,18?,19?,20-,21?/m0/s1.

What are the key properties of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone?

[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone has a molecular weight of 468.61 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(oxolan-2-yl)pyrazolidin-3-yl]methanone is sourced from PubChem (CID 140573459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).