3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione

C17H14N6O2 — CID 118598882

IUPAC3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(c2ccccn2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C17H14N6O2/c1-17(13-4-2-3-8-19-13)22-15(24)12-6-5-11(16(25)23(12)17)21-14-7-9-18-10-20-14/h2-10H,1H3,(H,22,24)(H,18,20,21)
InChIKeyGVYZOWDBQXKJDR-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.24
Rot. Bonds3

About 3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione

3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598882) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598882
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(c2ccccn2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C17H14N6O2/c1-17(13-4-2-3-8-19-13)22-15(24)12-6-5-11(16(25)23(12)17)21-14-7-9-18-10-20-14/h2-10H,1H3,(H,22,24)(H,18,20,21)
InChIKeyGVYZOWDBQXKJDR-UHFFFAOYSA-N
XLogP1.24
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598882) is 3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(c2ccccn2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21.
What is the InChIKey of 3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is GVYZOWDBQXKJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-17(13-4-2-3-8-19-13)22-15(24)12-6-5-11(16(25)23(12)17)21-14-7-9-18-10-20-14/h2-10H,1H3,(H,22,24)(H,18,20,21).
What are the key properties of 3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 334.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).