4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine

C17H23FN6O — CID 125185192

About 4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine

4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine (PubChem CID 125185192) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine.

Molecular Properties

• Compound Name: 4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine
• PubChem CID: 125185192
• Molecular Formula: C17H23FN6O
• Molecular Weight: 346.41 g/mol
• Exact Mass: 346.19
• IUPAC Name: 4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine
• SMILES: Cn1cc(C[C@@H]2[C@@H](N3CCOCC3)CCN2c2ncc(F)cn2)cn1
• InChI: InChI=1S/C17H23FN6O/c1-22-12-13(9-21-22)8-16-15(23-4-6-25-7-5-23)2-3-24(16)17-19-10-14(18)11-20-17/h9-12,15-16H,2-8H2,1H3/t15-,16+/m0/s1
• InChIKey: OFNCMUJUECXXKL-JKSUJKDBSA-N
• XLogP: 0.87
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.41
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine?

The IUPAC name of 4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine (CID 125185192) is 4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine.

What is the SMILES notation for 4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine?

The canonical SMILES for 4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine is Cn1cc(C[C@@H]2[C@@H](N3CCOCC3)CCN2c2ncc(F)cn2)cn1.

What is the InChIKey of 4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine?

The InChIKey is OFNCMUJUECXXKL-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-22-12-13(9-21-22)8-16-15(23-4-6-25-7-5-23)2-3-24(16)17-19-10-14(18)11-20-17/h9-12,15-16H,2-8H2,1H3/t15-,16+/m0/s1.

What are the key properties of 4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine?

4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine has a molecular weight of 346.41 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 125185192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).