(1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone

C23H33FN6O2 — CID 171798657

About (1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone

(1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone (PubChem CID 171798657) has the molecular formula C23H33FN6O2 and a molecular weight of 444.56 g/mol. Its IUPAC name is (1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone
• PubChem CID: 171798657
• Molecular Formula: C23H33FN6O2
• Molecular Weight: 444.56 g/mol
• Exact Mass: 444.26
• IUPAC Name: (1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone
• SMILES: CC(C)c1cnn2c(NC3CCNCC3)cc(O[C@@H]3CCCN(C(=O)C4(F)CC4)C3)nc12
• InChI: InChI=1S/C23H33FN6O2/c1-15(2)18-13-26-30-19(27-16-5-9-25-10-6-16)12-20(28-21(18)30)32-17-4-3-11-29(14-17)22(31)23(24)7-8-23/h12-13,15-17,25,27H,3-11,14H2,1-2H3/t17-/m1/s1
• InChIKey: WNRFOTAXRWHOFN-QGZVFWFLSA-N
• XLogP: 2.89
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.56
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone?

The IUPAC name of (1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone (CID 171798657) is (1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone.

What is the SMILES notation for (1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone?

The canonical SMILES for (1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone is CC(C)c1cnn2c(NC3CCNCC3)cc(O[C@@H]3CCCN(C(=O)C4(F)CC4)C3)nc12.

What is the InChIKey of (1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone?

The InChIKey is WNRFOTAXRWHOFN-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H33FN6O2/c1-15(2)18-13-26-30-19(27-16-5-9-25-10-6-16)12-20(28-21(18)30)32-17-4-3-11-29(14-17)22(31)23(24)7-8-23/h12-13,15-17,25,27H,3-11,14H2,1-2H3/t17-/m1/s1.

What are the key properties of (1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone?

(1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone has a molecular weight of 444.56 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 171798657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).