6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid

C17H17FN6O2 — CID 68974270

IUPAC6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid
SMILESCc1ncc(-c2nc(Nc3ccc(C(=O)O)cn3)ncc2F)n1C(C)C
InChIInChI=1S/C17H17FN6O2/c1-9(2)24-10(3)19-8-13(24)15-12(18)7-21-17(23-15)22-14-5-4-11(6-20-14)16(25)26/h4-9H,1-3H3,(H,25,26)(H,20,21,22,23)
InChIKeyMDRYJTMXBRIEBE-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.21
Rot. Bonds5

About 6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid

6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid (PubChem CID 68974270) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid
PubChem CID68974270
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid
SMILESCc1ncc(-c2nc(Nc3ccc(C(=O)O)cn3)ncc2F)n1C(C)C
InChIInChI=1S/C17H17FN6O2/c1-9(2)24-10(3)19-8-13(24)15-12(18)7-21-17(23-15)22-14-5-4-11(6-20-14)16(25)26/h4-9H,1-3H3,(H,25,26)(H,20,21,22,23)
InChIKeyMDRYJTMXBRIEBE-UHFFFAOYSA-N
XLogP3.21
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid (CID 68974270) is 6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid is Cc1ncc(-c2nc(Nc3ccc(C(=O)O)cn3)ncc2F)n1C(C)C.
What is the InChIKey of 6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is MDRYJTMXBRIEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c1-9(2)24-10(3)19-8-13(24)15-12(18)7-21-17(23-15)22-14-5-4-11(6-20-14)16(25)26/h4-9H,1-3H3,(H,25,26)(H,20,21,22,23).
What are the key properties of 6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid?
6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 356.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 68974270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).