3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid

C20H23FN4O3 — CID 144653813

IUPAC3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid
SMILESCCC(CCOC)Cn1nc(Nc2cnccc2C(=O)O)c2cc(F)ccc21
InChIInChI=1S/C20H23FN4O3/c1-3-13(7-9-28-2)12-25-18-5-4-14(21)10-16(18)19(24-25)23-17-11-22-8-6-15(17)20(26)27/h4-6,8,10-11,13H,3,7,9,12H2,1-2H3,(H,23,24)(H,26,27)
InChIKeyBYIIQBYSAIKUHM-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.07
Rot. Bonds9

About 3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid

3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid (PubChem CID 144653813) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid
PubChem CID144653813
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid
SMILESCCC(CCOC)Cn1nc(Nc2cnccc2C(=O)O)c2cc(F)ccc21
InChIInChI=1S/C20H23FN4O3/c1-3-13(7-9-28-2)12-25-18-5-4-14(21)10-16(18)19(24-25)23-17-11-22-8-6-15(17)20(26)27/h4-6,8,10-11,13H,3,7,9,12H2,1-2H3,(H,23,24)(H,26,27)
InChIKeyBYIIQBYSAIKUHM-UHFFFAOYSA-N
XLogP4.07
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid with MolForge

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Related Compounds

methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate
CID 90216583
3-[[1-[4-(dimethylamino)but-2-ynyl]-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid
CID 90216544
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
ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid
CID 144653790
methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate
CID 90216554
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559
[3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]amino]-4-pyridinyl]methanediol
CID 123181212
3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 147466873
methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate
CID 144672684
3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid
CID 114288736
3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid
CID 118970057
3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 157145511

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid (CID 144653813) is 3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid is CCC(CCOC)Cn1nc(Nc2cnccc2C(=O)O)c2cc(F)ccc21.
What is the InChIKey of 3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid?
The InChIKey is BYIIQBYSAIKUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-3-13(7-9-28-2)12-25-18-5-4-14(21)10-16(18)19(24-25)23-17-11-22-8-6-15(17)20(26)27/h4-6,8,10-11,13H,3,7,9,12H2,1-2H3,(H,23,24)(H,26,27).
What are the key properties of 3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid?
3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid has a molecular weight of 386.43 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-ethyl-4-methoxybutyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 144653813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).