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

C24H34F2N6O2 — CID 140573387

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

[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(difluoromethoxy)cyclohexyl]methanone (PubChem CID 140573387) has the molecular formula C24H34F2N6O2 and a molecular weight of 476.57 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]-[2-(difluoromethoxy)cyclohexyl]methanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(difluoromethoxy)cyclohexyl]methanone
• PubChem CID: 140573387
• Molecular Formula: C24H34F2N6O2
• Molecular Weight: 476.57 g/mol
• Exact Mass: 476.27
• IUPAC Name: [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(difluoromethoxy)cyclohexyl]methanone
• SMILES: Cc1cn2nc([C@@H]3CCCCN3C(=O)C3CCCCC3OC(F)F)cc2nc1N1CC[C@H](N)C1
• InChI: InChI=1S/C24H34F2N6O2/c1-15-13-32-21(28-22(15)30-11-9-16(27)14-30)12-18(29-32)19-7-4-5-10-31(19)23(33)17-6-2-3-8-20(17)34-24(25)26/h12-13,16-17,19-20,24H,2-11,14,27H2,1H3/t16-,17?,19-,20?/m0/s1
• InChIKey: QZCZACPXLFFEIM-YMPIPDKKSA-N
• XLogP: 3.43
• TPSA: 88.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.57
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
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]-[2-(difluoromethoxy)cyclohexyl]methanone?

The IUPAC name of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(difluoromethoxy)cyclohexyl]methanone (CID 140573387) is [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(difluoromethoxy)cyclohexyl]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]-[2-(difluoromethoxy)cyclohexyl]methanone?

The canonical SMILES for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(difluoromethoxy)cyclohexyl]methanone is Cc1cn2nc([C@@H]3CCCCN3C(=O)C3CCCCC3OC(F)F)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]-[2-(difluoromethoxy)cyclohexyl]methanone?

The InChIKey is QZCZACPXLFFEIM-YMPIPDKKSA-N. The full InChI is InChI=1S/C24H34F2N6O2/c1-15-13-32-21(28-22(15)30-11-9-16(27)14-30)12-18(29-32)19-7-4-5-10-31(19)23(33)17-6-2-3-8-20(17)34-24(25)26/h12-13,16-17,19-20,24H,2-11,14,27H2,1H3/t16-,17?,19-,20?/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]-[2-(difluoromethoxy)cyclohexyl]methanone?

[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(difluoromethoxy)cyclohexyl]methanone has a molecular weight of 476.57 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 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]-[2-(difluoromethoxy)cyclohexyl]methanone is sourced from PubChem (CID 140573387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).