2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid

C21H23FN4O2 — CID 11257548

IUPAC2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCCC(C)(C)c1cc(Nc2ncccc2C(=O)O)n(-c2cc(F)ccc2C)n1
InChIInChI=1S/C21H23FN4O2/c1-5-21(3,4)17-12-18(24-19-15(20(27)28)7-6-10-23-19)26(25-17)16-11-14(22)9-8-13(16)2/h6-12H,5H2,1-4H3,(H,23,24)(H,27,28)
InChIKeyFDNUJCRCIPQBSW-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.84
Rot. Bonds6

About 2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid

2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 11257548) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID11257548
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCCC(C)(C)c1cc(Nc2ncccc2C(=O)O)n(-c2cc(F)ccc2C)n1
InChIInChI=1S/C21H23FN4O2/c1-5-21(3,4)17-12-18(24-19-15(20(27)28)7-6-10-23-19)26(25-17)16-11-14(22)9-8-13(16)2/h6-12H,5H2,1-4H3,(H,23,24)(H,27,28)
InChIKeyFDNUJCRCIPQBSW-UHFFFAOYSA-N
XLogP4.84
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid (CID 11257548) is 2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid is CCC(C)(C)c1cc(Nc2ncccc2C(=O)O)n(-c2cc(F)ccc2C)n1.
What is the InChIKey of 2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is FDNUJCRCIPQBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-5-21(3,4)17-12-18(24-19-15(20(27)28)7-6-10-23-19)26(25-17)16-11-14(22)9-8-13(16)2/h6-12H,5H2,1-4H3,(H,23,24)(H,27,28).
What are the key properties of 2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 382.44 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-fluoro-2-methylphenyl)-3-(2-methylbutan-2-yl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11257548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).