methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate

C26H27FN2O3 — CID 67668919

IUPACmethyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(NCc2cc(-c3ccncc3)ccc2OC)C1c1ccc(F)cc1
InChIInChI=1S/C26H27FN2O3/c1-31-24-10-5-19(17-11-13-28-14-12-17)15-20(24)16-29-23-9-8-22(26(30)32-2)25(23)18-3-6-21(27)7-4-18/h3-7,10-15,22-23,25,29H,8-9,16H2,1-2H3
InChIKeyIJMIRLBXTQNJRR-UHFFFAOYSA-N
MW434.51 g/mol
LogP4.72
Rot. Bonds7

About methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate

methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate (PubChem CID 67668919) has the molecular formula C26H27FN2O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate
PubChem CID67668919
Molecular FormulaC26H27FN2O3
Molecular Weight434.51 g/mol
Exact Mass434.20
IUPAC Namemethyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(NCc2cc(-c3ccncc3)ccc2OC)C1c1ccc(F)cc1
InChIInChI=1S/C26H27FN2O3/c1-31-24-10-5-19(17-11-13-28-14-12-17)15-20(24)16-29-23-9-8-22(26(30)32-2)25(23)18-3-6-21(27)7-4-18/h3-7,10-15,22-23,25,29H,8-9,16H2,1-2H3
InChIKeyIJMIRLBXTQNJRR-UHFFFAOYSA-N
XLogP4.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate (CID 67668919) is methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate is COC(=O)C1CCC(NCc2cc(-c3ccncc3)ccc2OC)C1c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate?
The InChIKey is IJMIRLBXTQNJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O3/c1-31-24-10-5-19(17-11-13-28-14-12-17)15-20(24)16-29-23-9-8-22(26(30)32-2)25(23)18-3-6-21(27)7-4-18/h3-7,10-15,22-23,25,29H,8-9,16H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate?
methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate has a molecular weight of 434.51 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 67668919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).