2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one

C17H14N4OS — CID 46805986

IUPAC2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CSc3ncc4ccccn34)cc(=O)n12
InChIInChI=1S/C17H14N4OS/c1-12-5-4-7-15-19-13(9-16(22)21(12)15)11-23-17-18-10-14-6-2-3-8-20(14)17/h2-10H,11H2,1H3
InChIKeyNJLQKSCLYAOSOX-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.94
Rot. Bonds3

About 2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one

2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 46805986) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID46805986
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CSc3ncc4ccccn34)cc(=O)n12
InChIInChI=1S/C17H14N4OS/c1-12-5-4-7-15-19-13(9-16(22)21(12)15)11-23-17-18-10-14-6-2-3-8-20(14)17/h2-10H,11H2,1H3
InChIKeyNJLQKSCLYAOSOX-UHFFFAOYSA-N
XLogP2.94
TPSA51.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 55477363
2-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 55476712
2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 46805119
6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51245265
2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8916555
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8970188
2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 46805740
3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine
CID 47096267
2-[[5-(2-chlorophenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 4195030
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 46805033
6-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51289433

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 46805986) is 2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CSc3ncc4ccccn34)cc(=O)n12.
What is the InChIKey of 2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NJLQKSCLYAOSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-12-5-4-7-15-19-13(9-16(22)21(12)15)11-23-17-18-10-14-6-2-3-8-20(14)17/h2-10H,11H2,1H3.
What are the key properties of 2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 322.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 46805986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).