1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine

C23H30FN5O — CID 111919449

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccnc(Oc2ccc(F)cc2)c1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C23H30FN5O/c1-25-23(28-19-11-13-29(16-19)20-4-2-3-5-20)27-15-17-10-12-26-22(14-17)30-21-8-6-18(24)7-9-21/h6-10,12,14,19-20H,2-5,11,13,15-16H2,1H3,(H2,25,27,28)
InChIKeyMLQGFSLSSWJLAL-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.69
Rot. Bonds6

About 1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine

1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine (PubChem CID 111919449) has the molecular formula C23H30FN5O and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine
PubChem CID111919449
Molecular FormulaC23H30FN5O
Molecular Weight411.53 g/mol
Exact Mass411.24
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccnc(Oc2ccc(F)cc2)c1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C23H30FN5O/c1-25-23(28-19-11-13-29(16-19)20-4-2-3-5-20)27-15-17-10-12-26-22(14-17)30-21-8-6-18(24)7-9-21/h6-10,12,14,19-20H,2-5,11,13,15-16H2,1H3,(H2,25,27,28)
InChIKeyMLQGFSLSSWJLAL-UHFFFAOYSA-N
XLogP3.69
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-cyclopentylpyrrolidin-3-yl)-3-[(2-ethoxy-4-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111920144
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962449
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 111994782
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962448
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111231831
1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine
CID 111994279
1-[(3-bromo-5-fluorophenyl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918819
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918947
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001503
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1-cyclopentylpiperidin-4-yl)-2-methylguanidine;hydroiodide
CID 111992064
1-(1,3-benzodioxol-5-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918611
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111918546

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine (CID 111919449) is 1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine is C/N=C(\NCc1ccnc(Oc2ccc(F)cc2)c1)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine?
The InChIKey is MLQGFSLSSWJLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O/c1-25-23(28-19-11-13-29(16-19)20-4-2-3-5-20)27-15-17-10-12-26-22(14-17)30-21-8-6-18(24)7-9-21/h6-10,12,14,19-20H,2-5,11,13,15-16H2,1H3,(H2,25,27,28).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine?
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine has a molecular weight of 411.53 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine is sourced from PubChem (CID 111919449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).