3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid

C18H18FN3O2 — CID 147466873

IUPAC3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid
SMILESCCC(C)n1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21
InChIInChI=1S/C18H18FN3O2/c1-3-11(2)22-17-5-4-13(19)9-15(17)16(21-22)8-12-10-20-7-6-14(12)18(23)24/h4-7,9-11H,3,8H2,1-2H3,(H,23,24)
InChIKeyFAZKZYSVYVMHFM-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.83
Rot. Bonds5

About 3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid

3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 147466873) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid
PubChem CID147466873
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid
SMILESCCC(C)n1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21
InChIInChI=1S/C18H18FN3O2/c1-3-11(2)22-17-5-4-13(19)9-15(17)16(21-22)8-12-10-20-7-6-14(12)18(23)24/h4-7,9-11H,3,8H2,1-2H3,(H,23,24)
InChIKeyFAZKZYSVYVMHFM-UHFFFAOYSA-N
XLogP3.83
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 157145511
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-fluoro-1-(oxan-4-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 148595115
methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate
CID 148583128
3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid
CID 150942851
2-ethyl-4-fluorobenzoic acid
CID 22101376
3-(2-hydroxypropyl)pyridine-4-carboxylic acid
CID 165349315
1-butan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 16790291
3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid
CID 144653813
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
2-[[butan-2-yl(methyl)amino]methyl]-4-fluorobenzoic acid
CID 107907522

Frequently Asked Questions

What is the IUPAC name of 3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid (CID 147466873) is 3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid is CCC(C)n1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.
What is the InChIKey of 3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is FAZKZYSVYVMHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-3-11(2)22-17-5-4-13(19)9-15(17)16(21-22)8-12-10-20-7-6-14(12)18(23)24/h4-7,9-11H,3,8H2,1-2H3,(H,23,24).
What are the key properties of 3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid?
3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 147466873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).