[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone

C26H36N8O — CID 58029711

About [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone

[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone (PubChem CID 58029711) has the molecular formula C26H36N8O and a molecular weight of 476.63 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-cyclohexyl-1H-pyrazol-4-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-cyclohexyl-1H-pyrazol-4-yl)methanone
• PubChem CID: 58029711
• Molecular Formula: C26H36N8O
• Molecular Weight: 476.63 g/mol
• Exact Mass: 476.30
• IUPAC Name: [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone
• SMILES: Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cn[nH]c3C3CCCCC3)cc2nc1N1CC[C@H](N)C1
• InChI: InChI=1S/C26H36N8O/c1-17-15-34-23(29-25(17)32-12-10-19(27)16-32)13-21(31-34)22-9-5-6-11-33(22)26(35)20-14-28-30-24(20)18-7-3-2-4-8-18/h13-15,18-19,22H,2-12,16,27H2,1H3,(H,28,30)/t19-,22-/m0/s1
• InChIKey: QIWOAXTZNFLDKT-UGKGYDQZSA-N
• XLogP: 3.71
• TPSA: 108.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.63
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-cyclohexyl-1H-pyrazol-4-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-cyclohexyl-1H-pyrazol-4-yl)methanone (CID 58029711) is [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-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-cyclohexyl-1H-pyrazol-4-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-cyclohexyl-1H-pyrazol-4-yl)methanone is Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cn[nH]c3C3CCCCC3)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-cyclohexyl-1H-pyrazol-4-yl)methanone?

The InChIKey is QIWOAXTZNFLDKT-UGKGYDQZSA-N. The full InChI is InChI=1S/C26H36N8O/c1-17-15-34-23(29-25(17)32-12-10-19(27)16-32)13-21(31-34)22-9-5-6-11-33(22)26(35)20-14-28-30-24(20)18-7-3-2-4-8-18/h13-15,18-19,22H,2-12,16,27H2,1H3,(H,28,30)/t19-,22-/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-cyclohexyl-1H-pyrazol-4-yl)methanone?

[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone has a molecular weight of 476.63 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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-cyclohexyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 58029711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).