methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate

C20H20FN3O2 — CID 148583128

IUPACmethyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Cc1nn(C2CCCC2)c2ccc(F)cc12
InChIInChI=1S/C20H20FN3O2/c1-26-20(25)16-8-9-22-12-13(16)10-18-17-11-14(21)6-7-19(17)24(23-18)15-4-2-3-5-15/h6-9,11-12,15H,2-5,10H2,1H3
InChIKeyMZDIVUDGQZSOHD-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.06
Rot. Bonds4

About methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate

methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate (PubChem CID 148583128) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate
PubChem CID148583128
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Namemethyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Cc1nn(C2CCCC2)c2ccc(F)cc12
InChIInChI=1S/C20H20FN3O2/c1-26-20(25)16-8-9-22-12-13(16)10-18-17-11-14(21)6-7-19(17)24(23-18)15-4-2-3-5-15/h6-9,11-12,15H,2-5,10H2,1H3
InChIKeyMZDIVUDGQZSOHD-UHFFFAOYSA-N
XLogP4.06
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate 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

3-[[5-fluoro-1-(oxan-4-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 148595115
3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 157145511
3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 147466873
methyl 3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylate
CID 149358041
methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate
CID 90216583
3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid
CID 159277426
methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate
CID 124559726
3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate
CID 159530833
methyl 6-chloro-1-cyclopentylindazole-4-carboxylate
CID 67466686
ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91145440
methyl 6-fluoroisoquinoline-8-carboxylate
CID 122163275
methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate
CID 148952326

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate (CID 148583128) is methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate is COC(=O)c1ccncc1Cc1nn(C2CCCC2)c2ccc(F)cc12.
What is the InChIKey of methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate?
The InChIKey is MZDIVUDGQZSOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-26-20(25)16-8-9-22-12-13(16)10-18-17-11-14(21)6-7-19(17)24(23-18)15-4-2-3-5-15/h6-9,11-12,15H,2-5,10H2,1H3.
What are the key properties of methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate?
methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate is sourced from PubChem (CID 148583128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).