5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate

C19H18FN6O3- — CID 59774744

About 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate

5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate (PubChem CID 59774744) has the molecular formula C19H18FN6O3- and a molecular weight of 397.39 g/mol. Its IUPAC name is 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate
• PubChem CID: 59774744
• Molecular Formula: C19H18FN6O3-
• Molecular Weight: 397.39 g/mol
• Exact Mass: 397.14
• IUPAC Name: 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate
• SMILES: Cc1ncc(-c2nc(Nc3ccc(C(=O)[O-])nc3)ncc2F)n1C1CCOCC1
• InChI: InChI=1S/C19H19FN6O3/c1-11-21-10-16(26(11)13-4-6-29-7-5-13)17-14(20)9-23-19(25-17)24-12-2-3-15(18(27)28)22-8-12/h2-3,8-10,13H,4-7H2,1H3,(H,27,28)(H,23,24,25)/p-1
• InChIKey: UNETYLWANGQPRR-UHFFFAOYSA-M
• XLogP: 1.64
• TPSA: 117.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.39
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate?

The IUPAC name of 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate (CID 59774744) is 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate.

What is the SMILES notation for 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate?

The canonical SMILES for 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate is Cc1ncc(-c2nc(Nc3ccc(C(=O)[O-])nc3)ncc2F)n1C1CCOCC1.

What is the InChIKey of 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate?

The InChIKey is UNETYLWANGQPRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H19FN6O3/c1-11-21-10-16(26(11)13-4-6-29-7-5-13)17-14(20)9-23-19(25-17)24-12-2-3-15(18(27)28)22-8-12/h2-3,8-10,13H,4-7H2,1H3,(H,27,28)(H,23,24,25)/p-1.

What are the key properties of 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate?

5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate has a molecular weight of 397.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 59774744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).