4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid

C24H23FN6O4 — CID 71612385

IUPAC4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCCc1c(-c2ncc(OC)c(Nc3ccncc3C(=O)O)n2)nn(Cc2ccccc2F)c1OC
InChIInChI=1S/C24H23FN6O4/c1-4-15-20(30-31(23(15)35-3)13-14-7-5-6-8-17(14)25)22-27-12-19(34-2)21(29-22)28-18-9-10-26-11-16(18)24(32)33/h5-12H,4,13H2,1-3H3,(H,32,33)(H,26,27,28,29)
InChIKeyIUJUKVJRRYEYGX-UHFFFAOYSA-N
MW478.48 g/mol
LogP3.94
Rot. Bonds9

About 4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid

4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid (PubChem CID 71612385) has the molecular formula C24H23FN6O4 and a molecular weight of 478.48 g/mol. Its IUPAC name is 4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
PubChem CID71612385
Molecular FormulaC24H23FN6O4
Molecular Weight478.48 g/mol
Exact Mass478.18
IUPAC Name4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCCc1c(-c2ncc(OC)c(Nc3ccncc3C(=O)O)n2)nn(Cc2ccccc2F)c1OC
InChIInChI=1S/C24H23FN6O4/c1-4-15-20(30-31(23(15)35-3)13-14-7-5-6-8-17(14)25)22-27-12-19(34-2)21(29-22)28-18-9-10-26-11-16(18)24(32)33/h5-12H,4,13H2,1-3H3,(H,32,33)(H,26,27,28,29)
InChIKeyIUJUKVJRRYEYGX-UHFFFAOYSA-N
XLogP3.94
TPSA124.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid 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 4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid (CID 71612385) is 4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid is CCc1c(-c2ncc(OC)c(Nc3ccncc3C(=O)O)n2)nn(Cc2ccccc2F)c1OC.
What is the InChIKey of 4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is IUJUKVJRRYEYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O4/c1-4-15-20(30-31(23(15)35-3)13-14-7-5-6-8-17(14)25)22-27-12-19(34-2)21(29-22)28-18-9-10-26-11-16(18)24(32)33/h5-12H,4,13H2,1-3H3,(H,32,33)(H,26,27,28,29).
What are the key properties of 4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 478.48 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 71612385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).