ethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate

C18H23FN4O4 — CID 167064683

IUPACethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2C=C(c3cc(OC)ncc3F)NN2)CC1
InChIInChI=1S/C18H23FN4O4/c1-3-27-18(25)11-4-6-23(7-5-11)17(24)15-9-14(21-22-15)12-8-16(26-2)20-10-13(12)19/h8-11,15,21-22H,3-7H2,1-2H3
InChIKeyZZJJOUPEBCSKCG-UHFFFAOYSA-N
MW378.40 g/mol
LogP0.85
Rot. Bonds5

About ethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate

ethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate (PubChem CID 167064683) has the molecular formula C18H23FN4O4 and a molecular weight of 378.40 g/mol. Its IUPAC name is ethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate
PubChem CID167064683
Molecular FormulaC18H23FN4O4
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Nameethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2C=C(c3cc(OC)ncc3F)NN2)CC1
InChIInChI=1S/C18H23FN4O4/c1-3-27-18(25)11-4-6-23(7-5-11)17(24)15-9-14(21-22-15)12-8-16(26-2)20-10-13(12)19/h8-11,15,21-22H,3-7H2,1-2H3
InChIKeyZZJJOUPEBCSKCG-UHFFFAOYSA-N
XLogP0.85
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[N-[(6-methoxy-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157339
ethyl 1-(6-methoxypyridine-2-carbonyl)piperidine-4-carboxylate
CID 84580551
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate
CID 137147280
ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate
CID 79140194
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate
CID 113470964
ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate
CID 110764961
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate
CID 55378993
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate (CID 167064683) is ethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2C=C(c3cc(OC)ncc3F)NN2)CC1.
What is the InChIKey of ethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is ZZJJOUPEBCSKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4/c1-3-27-18(25)11-4-6-23(7-5-11)17(24)15-9-14(21-22-15)12-8-16(26-2)20-10-13(12)19/h8-11,15,21-22H,3-7H2,1-2H3.
What are the key properties of ethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate?
ethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 378.40 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 167064683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).