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

C26H27FN2O3 — CID 67667060

IUPACmethyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-3-ylphenyl)methylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(NCc2cc(-c3cccnc3)ccc2OC)C1c1ccc(F)cc1
InChIInChI=1S/C26H27FN2O3/c1-31-24-12-7-18(19-4-3-13-28-15-19)14-20(24)16-29-23-11-10-22(26(30)32-2)25(23)17-5-8-21(27)9-6-17/h3-9,12-15,22-23,25,29H,10-11,16H2,1-2H3
InChIKeyDUIBJNFWIJPZLK-UHFFFAOYSA-N
MW434.51 g/mol
LogP4.72
Rot. Bonds7

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

methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-3-ylphenyl)methylamino]cyclopentane-1-carboxylate (PubChem CID 67667060) 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-3-ylphenyl)methylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-3-ylphenyl)methylamino]cyclopentane-1-carboxylate
PubChem CID67667060
Molecular FormulaC26H27FN2O3
Molecular Weight434.51 g/mol
Exact Mass434.20
IUPAC Namemethyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-3-ylphenyl)methylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(NCc2cc(-c3cccnc3)ccc2OC)C1c1ccc(F)cc1
InChIInChI=1S/C26H27FN2O3/c1-31-24-12-7-18(19-4-3-13-28-15-19)14-20(24)16-29-23-11-10-22(26(30)32-2)25(23)17-5-8-21(27)9-6-17/h3-9,12-15,22-23,25,29H,10-11,16H2,1-2H3
InChIKeyDUIBJNFWIJPZLK-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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Related Compounds

methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate
CID 67668919
2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide
CID 70347184
N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide
CID 70346960
2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine
CID 67613519
methyl (1S,2S,3S)-2-(4-fluorophenyl)-3-[[3-(tetrazol-1-yl)-5-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxylate
CID 67669275
N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine
CID 107696406
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine
CID 54911922
4-N-[[5-(6-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine
CID 69165178
N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine
CID 61025376
1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
CID 61026213
2-(2-methoxyphenyl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 131702715
[4-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methylamino]cyclohexyl]-methylcarbamic acid
CID 69166181

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-3-ylphenyl)methylamino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-3-ylphenyl)methylamino]cyclopentane-1-carboxylate (CID 67667060) is methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-3-ylphenyl)methylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-3-ylphenyl)methylamino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-3-ylphenyl)methylamino]cyclopentane-1-carboxylate is COC(=O)C1CCC(NCc2cc(-c3cccnc3)ccc2OC)C1c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-3-ylphenyl)methylamino]cyclopentane-1-carboxylate?
The InChIKey is DUIBJNFWIJPZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O3/c1-31-24-12-7-18(19-4-3-13-28-15-19)14-20(24)16-29-23-11-10-22(26(30)32-2)25(23)17-5-8-21(27)9-6-17/h3-9,12-15,22-23,25,29H,10-11,16H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-3-ylphenyl)methylamino]cyclopentane-1-carboxylate?
methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-3-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-3-ylphenyl)methylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 67667060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).