ethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate

C17H18FN3O2 — CID 56607951

IUPACethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(C2=NCNC2)C=C1c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c1-2-23-17(22)21-8-7-13(15-10-19-11-20-15)9-16(21)12-3-5-14(18)6-4-12/h3-9,13,19H,2,10-11H2,1H3
InChIKeyYJTZFRGJNMRLNR-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.77
Rot. Bonds3

About ethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate

ethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate (PubChem CID 56607951) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is ethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate
PubChem CID56607951
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Nameethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(C2=NCNC2)C=C1c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c1-2-23-17(22)21-8-7-13(15-10-19-11-20-15)9-16(21)12-3-5-14(18)6-4-12/h3-9,13,19H,2,10-11H2,1H3
InChIKeyYJTZFRGJNMRLNR-UHFFFAOYSA-N
XLogP2.77
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Methyl 6-(3,4-difluorophenyl)-4-ethyl-5-formamido-2-oxopyrimidine-1-carboxylate
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ethyl N-[(2E,4Z)-5-[(4-fluorophenyl)methylamino]-5-(methylideneamino)penta-2,4-dien-2-yl]carbamate
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methyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate
CID 56625106
1-(dimethylamino)ethyl N-benzyl-N-[6-(but-1-en-2-ylamino)hexyl]carbamate;oxolane;1H-pyrimidin-2-one
CID 142134247
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate?
The IUPAC name of ethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate (CID 56607951) is ethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate is CCOC(=O)N1C=CC(C2=NCNC2)C=C1c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate?
The InChIKey is YJTZFRGJNMRLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-2-23-17(22)21-8-7-13(15-10-19-11-20-15)9-16(21)12-3-5-14(18)6-4-12/h3-9,13,19H,2,10-11H2,1H3.
What are the key properties of ethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate?
ethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate has a molecular weight of 315.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate is sourced from PubChem (CID 56607951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).