3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid

C21H24FN3O2 — CID 157145511

IUPAC3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid
SMILESCC(C)(C)CCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21
InChIInChI=1S/C21H24FN3O2/c1-21(2,3)8-4-10-25-19-6-5-15(22)12-17(19)18(24-25)11-14-13-23-9-7-16(14)20(26)27/h5-7,9,12-13H,4,8,10-11H2,1-3H3,(H,26,27)
InChIKeyRPZUFCBTYMMSJY-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.69
Rot. Bonds6

About 3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid

3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid (PubChem CID 157145511) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid
PubChem CID157145511
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid
SMILESCC(C)(C)CCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21
InChIInChI=1S/C21H24FN3O2/c1-21(2,3)8-4-10-25-19-6-5-15(22)12-17(19)18(24-25)11-14-13-23-9-7-16(14)20(26)27/h5-7,9,12-13H,4,8,10-11H2,1-3H3,(H,26,27)
InChIKeyRPZUFCBTYMMSJY-UHFFFAOYSA-N
XLogP4.69
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-fluoro-1-(oxan-4-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 148595115
3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 147466873
3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid
CID 157357015
methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate
CID 148583128
3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid
CID 158913772
3-[(1-benzyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 158456815
3-[[5-chloro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 158913771
3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid
CID 150942851
3-[(5-chloro-1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3,3,3-trifluoropropyl)indazol-3-yl]amino]pyridine-4-carboxylic acid
CID 144653827
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
3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 153148612
3-[[1-[4-(dimethylamino)but-2-ynyl]-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid
CID 90216544

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid (CID 157145511) is 3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid is CC(C)(C)CCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.
What is the InChIKey of 3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid?
The InChIKey is RPZUFCBTYMMSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-21(2,3)8-4-10-25-19-6-5-15(22)12-17(19)18(24-25)11-14-13-23-9-7-16(14)20(26)27/h5-7,9,12-13H,4,8,10-11H2,1-3H3,(H,26,27).
What are the key properties of 3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid?
3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid has a molecular weight of 369.44 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157145511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).