3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

C17H18N4O3 — CID 144985916

IUPAC3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCCC1(CC)NC(=O)c2c(C)cc(C(=O)c3ccncn3)c(=O)n21
InChIInChI=1S/C17H18N4O3/c1-4-17(5-2)20-15(23)13-10(3)8-11(16(24)21(13)17)14(22)12-6-7-18-9-19-12/h6-9H,4-5H2,1-3H3,(H,20,23)
InChIKeyLQAANMYGJFKLFC-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.39
Rot. Bonds4

About 3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 144985916) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID144985916
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCCC1(CC)NC(=O)c2c(C)cc(C(=O)c3ccncn3)c(=O)n21
InChIInChI=1S/C17H18N4O3/c1-4-17(5-2)20-15(23)13-10(3)8-11(16(24)21(13)17)14(22)12-6-7-18-9-19-12/h6-9H,4-5H2,1-3H3,(H,20,23)
InChIKeyLQAANMYGJFKLFC-UHFFFAOYSA-N
XLogP1.39
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118599084
3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 160750705
(5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone
CID 63988733
(2-hydroxyphenyl)-pyrimidin-4-ylmethanone
CID 173459739
(1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone
CID 103130393
(3-chloro-4-methylphenyl)-pyrimidin-4-ylmethanone
CID 107559832
(3-methylphenyl)-pyrimidin-4-ylmethanone
CID 63989761
1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 163534048
6-ethyl-3-methyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one
CID 21293564
6-[(6-chloroquinazolin-4-yl)amino]-3-ethyl-8-methyl-3-(2-methylsulfanylethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 142402606
(4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone
CID 114640203
(2-methylquinolin-6-yl)-pyrimidin-4-ylmethanone
CID 81219966

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 144985916) is 3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is CCC1(CC)NC(=O)c2c(C)cc(C(=O)c3ccncn3)c(=O)n21.
What is the InChIKey of 3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is LQAANMYGJFKLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-4-17(5-2)20-15(23)13-10(3)8-11(16(24)21(13)17)14(22)12-6-7-18-9-19-12/h6-9H,4-5H2,1-3H3,(H,20,23).
What are the key properties of 3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 326.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-8-methyl-6-(pyrimidine-4-carbonyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 144985916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).