methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate

C17H18FN3O2 — CID 133353653

IUPACmethyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCCC2c2ccc(F)cc2)nn1
InChIInChI=1S/C17H18FN3O2/c1-23-17(22)15-9-10-16(21-20-15)19-14-4-2-3-13(14)11-5-7-12(18)8-6-11/h5-10,13-14H,2-4H2,1H3,(H,19,21)
InChIKeyCXADZORNXBGMRZ-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.15
Rot. Bonds4

About methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate

methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate (PubChem CID 133353653) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate
PubChem CID133353653
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Namemethyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCCC2c2ccc(F)cc2)nn1
InChIInChI=1S/C17H18FN3O2/c1-23-17(22)15-9-10-16(21-20-15)19-14-4-2-3-13(14)11-5-7-12(18)8-6-11/h5-10,13-14H,2-4H2,1H3,(H,19,21)
InChIKeyCXADZORNXBGMRZ-UHFFFAOYSA-N
XLogP3.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-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 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate (CID 133353653) is methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate is COC(=O)c1ccc(NC2CCCC2c2ccc(F)cc2)nn1.
What is the InChIKey of methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate?
The InChIKey is CXADZORNXBGMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-23-17(22)15-9-10-16(21-20-15)19-14-4-2-3-13(14)11-5-7-12(18)8-6-11/h5-10,13-14H,2-4H2,1H3,(H,19,21).
What are the key properties of methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate?
methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate has a molecular weight of 315.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 133353653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).