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

C17H23FN6O — CID 125185191

IUPAC4-[(2R,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine
SMILESCn1cc(C[C@@H]2[C@H](N3CCOCC3)CCN2c2ncc(F)cn2)cn1
InChIInChI=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-/m1/s1
InChIKeyOFNCMUJUECXXKL-HZPDHXFCSA-N
MW346.41 g/mol
LogP0.87
Rot. Bonds4

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

4-[(2R,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine (PubChem CID 125185191) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-[(2R,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2R,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine
PubChem CID125185191
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name4-[(2R,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine
SMILESCn1cc(C[C@@H]2[C@H](N3CCOCC3)CCN2c2ncc(F)cn2)cn1
InChIInChI=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-/m1/s1
InChIKeyOFNCMUJUECXXKL-HZPDHXFCSA-N
XLogP0.87
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 97470261
4-[(2S,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine
CID 97471022
N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 50952043
(2S,3R)-1-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97470964
4-[(2S,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine;2,2,2-trifluoroacetic acid
CID 127022555
4-[[5-(5-Fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine
CID 97413586
5-fluoro-2-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 124815893
4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine
CID 125185192
5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-2-amine
CID 128997312
(2S,3R)-1-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 155834322
4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine;2,2,2-trifluoroacetic acid
CID 155840545
(2S,3R)-1-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 155841962

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(2R,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine (CID 125185191) is 4-[(2R,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(2R,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(2R,3R)-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,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine?
The InChIKey is OFNCMUJUECXXKL-HZPDHXFCSA-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-/m1/s1.
What are the key properties of 4-[(2R,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine?
4-[(2R,3R)-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,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 125185191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).