2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid

C20H16N8O2 — CID 67433328

IUPAC2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCC(Nc1ncnc(N)c1C#N)c1nc2cccc(C(=O)O)n2c1-c1cccnc1
InChIInChI=1S/C20H16N8O2/c1-11(26-19-13(8-21)18(22)24-10-25-19)16-17(12-4-3-7-23-9-12)28-14(20(29)30)5-2-6-15(28)27-16/h2-7,9-11H,1H3,(H,29,30)(H3,22,24,25,26)
InChIKeyGIYUQLKGVSJMKU-UHFFFAOYSA-N
MW400.40 g/mol
LogP2.51
Rot. Bonds5

About 2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid

2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 67433328) has the molecular formula C20H16N8O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is 2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID67433328
Molecular FormulaC20H16N8O2
Molecular Weight400.40 g/mol
Exact Mass400.14
IUPAC Name2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCC(Nc1ncnc(N)c1C#N)c1nc2cccc(C(=O)O)n2c1-c1cccnc1
InChIInChI=1S/C20H16N8O2/c1-11(26-19-13(8-21)18(22)24-10-25-19)16-17(12-4-3-7-23-9-12)28-14(20(29)30)5-2-6-15(28)27-16/h2-7,9-11H,1H3,(H,29,30)(H3,22,24,25,26)
InChIKeyGIYUQLKGVSJMKU-UHFFFAOYSA-N
XLogP2.51
TPSA155.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid (CID 67433328) is 2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid is CC(Nc1ncnc(N)c1C#N)c1nc2cccc(C(=O)O)n2c1-c1cccnc1.
What is the InChIKey of 2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is GIYUQLKGVSJMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O2/c1-11(26-19-13(8-21)18(22)24-10-25-19)16-17(12-4-3-7-23-9-12)28-14(20(29)30)5-2-6-15(28)27-16/h2-7,9-11H,1H3,(H,29,30)(H3,22,24,25,26).
What are the key properties of 2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid?
2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 400.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 67433328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).