[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

C20H20FN5O2 — CID 121017724

IUPAC[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESCCc1ncnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)C2)c1F
InChIInChI=1S/C20H20FN5O2/c1-2-17-18(21)19(23-13-22-17)28-16-7-10-25(12-16)20(27)14-5-3-6-15(11-14)26-9-4-8-24-26/h3-6,8-9,11,13,16H,2,7,10,12H2,1H3
InChIKeyUESLLBNOATUNNM-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.66
Rot. Bonds5

About [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (PubChem CID 121017724) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
PubChem CID121017724
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESCCc1ncnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)C2)c1F
InChIInChI=1S/C20H20FN5O2/c1-2-17-18(21)19(23-13-22-17)28-16-7-10-25(12-16)20(27)14-5-3-6-15(11-14)26-9-4-8-24-26/h3-6,8-9,11,13,16H,2,7,10,12H2,1H3
InChIKeyUESLLBNOATUNNM-UHFFFAOYSA-N
XLogP2.66
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (CID 121017724) is [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is CCc1ncnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)C2)c1F.
What is the InChIKey of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The InChIKey is UESLLBNOATUNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-2-17-18(21)19(23-13-22-17)28-16-7-10-25(12-16)20(27)14-5-3-6-15(11-14)26-9-4-8-24-26/h3-6,8-9,11,13,16H,2,7,10,12H2,1H3.
What are the key properties of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone has a molecular weight of 381.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 121017724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).