[(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

C16H25FN4O3 — CID 120949402

IUPAC[(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCOCCn1cc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1
InChIInChI=1S/C16H25FN4O3/c1-23-5-4-21-11-13(9-18-21)10-20-12-14(17)8-15(20)16(22)19-2-6-24-7-3-19/h9,11,14-15H,2-8,10,12H2,1H3/t14-,15+/m1/s1
InChIKeyPHLUCHYBAJABRD-CABCVRRESA-N
MW340.40 g/mol
LogP0.30
Rot. Bonds6

About [(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120949402) has the molecular formula C16H25FN4O3 and a molecular weight of 340.40 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120949402
Molecular FormulaC16H25FN4O3
Molecular Weight340.40 g/mol
Exact Mass340.19
IUPAC Name[(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCOCCn1cc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1
InChIInChI=1S/C16H25FN4O3/c1-23-5-4-21-11-13(9-18-21)10-20-12-14(17)8-15(20)16(22)19-2-6-24-7-3-19/h9,11,14-15H,2-8,10,12H2,1H3/t14-,15+/m1/s1
InChIKeyPHLUCHYBAJABRD-CABCVRRESA-N
XLogP0.30
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120949402) is [(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is COCCn1cc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is PHLUCHYBAJABRD-CABCVRRESA-N. The full InChI is InChI=1S/C16H25FN4O3/c1-23-5-4-21-11-13(9-18-21)10-20-12-14(17)8-15(20)16(22)19-2-6-24-7-3-19/h9,11,14-15H,2-8,10,12H2,1H3/t14-,15+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 340.40 g/mol, XLogP of 0.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120949402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).