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

C18H18N4O3 — CID 118599084

IUPAC8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(C(=O)c2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C18H18N4O3/c1-11-9-12(15(23)13-5-8-19-10-20-13)17(25)22-14(11)16(24)21-18(22)6-3-2-4-7-18/h5,8-10H,2-4,6-7H2,1H3,(H,21,24)
InChIKeyPARJLDDHZBXSGW-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.54
Rot. Bonds2

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

8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 118599084) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID118599084
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(C(=O)c2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C18H18N4O3/c1-11-9-12(15(23)13-5-8-19-10-20-13)17(25)22-14(11)16(24)21-18(22)6-3-2-4-7-18/h5,8-10H,2-4,6-7H2,1H3,(H,21,24)
InChIKeyPARJLDDHZBXSGW-UHFFFAOYSA-N
XLogP1.54
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 118599084) is 8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1cc(C(=O)c2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1.
What is the InChIKey of 8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is PARJLDDHZBXSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-9-12(15(23)13-5-8-19-10-20-13)17(25)22-14(11)16(24)21-18(22)6-3-2-4-7-18/h5,8-10H,2-4,6-7H2,1H3,(H,21,24).
What are the key properties of 8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 338.37 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 118599084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).