methyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate

C18H18FNO3 — CID 162519185

IUPACmethyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(CCF)NC2=C(C(=O)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C18H18FNO3/c1-23-18(22)17-13(9-10-19)20-12-7-8-14(21)16(12)15(17)11-5-3-2-4-6-11/h2-6,15,20H,7-10H2,1H3/t15-/m1/s1
InChIKeyRWPDGKGUWOZHKN-OAHLLOKOSA-N
MW315.34 g/mol
LogP2.78
Rot. Bonds4

About methyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate

methyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate (PubChem CID 162519185) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is methyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
PubChem CID162519185
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Namemethyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(CCF)NC2=C(C(=O)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C18H18FNO3/c1-23-18(22)17-13(9-10-19)20-12-7-8-14(21)16(12)15(17)11-5-3-2-4-6-11/h2-6,15,20H,7-10H2,1H3/t15-/m1/s1
InChIKeyRWPDGKGUWOZHKN-OAHLLOKOSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate?
The IUPAC name of methyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate (CID 162519185) is methyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate.
What is the SMILES notation for methyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate?
The canonical SMILES for methyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate is COC(=O)C1=C(CCF)NC2=C(C(=O)CC2)[C@H]1c1ccccc1.
What is the InChIKey of methyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate?
The InChIKey is RWPDGKGUWOZHKN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-23-18(22)17-13(9-10-19)20-12-7-8-14(21)16(12)15(17)11-5-3-2-4-6-11/h2-6,15,20H,7-10H2,1H3/t15-/m1/s1.
What are the key properties of methyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate?
methyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate has a molecular weight of 315.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-(2-fluoroethyl)-5-oxo-4-phenyl-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate is sourced from PubChem (CID 162519185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).