[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone

C25H24FN5O2 — CID 127251579

About [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone

[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone (PubChem CID 127251579) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone.

Molecular Properties

• Compound Name: [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
• PubChem CID: 127251579
• Molecular Formula: C25H24FN5O2
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.19
• IUPAC Name: [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
• SMILES: Cc1cc(Cc2cccc(F)c2)cc(C2CN(C(=O)c3cc(C)nc4ccnn34)CCO2)n1
• InChI: InChI=1S/C25H24FN5O2/c1-16-10-19(12-18-4-3-5-20(26)13-18)14-21(28-16)23-15-30(8-9-33-23)25(32)22-11-17(2)29-24-6-7-27-31(22)24/h3-7,10-11,13-14,23H,8-9,12,15H2,1-2H3
• InChIKey: DZOUIWVJMBNJPY-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 72.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?

The IUPAC name of [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone (CID 127251579) is [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone.

What is the SMILES notation for [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?

The canonical SMILES for [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone is Cc1cc(Cc2cccc(F)c2)cc(C2CN(C(=O)c3cc(C)nc4ccnn34)CCO2)n1.

What is the InChIKey of [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?

The InChIKey is DZOUIWVJMBNJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-16-10-19(12-18-4-3-5-20(26)13-18)14-21(28-16)23-15-30(8-9-33-23)25(32)22-11-17(2)29-24-6-7-27-31(22)24/h3-7,10-11,13-14,23H,8-9,12,15H2,1-2H3.

What are the key properties of [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?

[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone has a molecular weight of 445.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone is sourced from PubChem (CID 127251579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).