9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

C24H24N4O2S — CID 42933006

IUPAC9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CSc3ncc(-c4ccccc4)n3CC3CCCO3)nc12
InChIInChI=1S/C24H24N4O2S/c1-17-7-5-11-27-22(29)13-19(26-23(17)27)16-31-24-25-14-21(18-8-3-2-4-9-18)28(24)15-20-10-6-12-30-20/h2-5,7-9,11,13-14,20H,6,10,12,15-16H2,1H3
InChIKeyRALWIXLZFJEFRV-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.34
Rot. Bonds6

About 9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42933006) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42933006
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CSc3ncc(-c4ccccc4)n3CC3CCCO3)nc12
InChIInChI=1S/C24H24N4O2S/c1-17-7-5-11-27-22(29)13-19(26-23(17)27)16-31-24-25-14-21(18-8-3-2-4-9-18)28(24)15-20-10-6-12-30-20/h2-5,7-9,11,13-14,20H,6,10,12,15-16H2,1H3
InChIKeyRALWIXLZFJEFRV-UHFFFAOYSA-N
XLogP4.34
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 42933006) is 9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CSc3ncc(-c4ccccc4)n3CC3CCCO3)nc12.
What is the InChIKey of 9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RALWIXLZFJEFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-17-7-5-11-27-22(29)13-19(26-23(17)27)16-31-24-25-14-21(18-8-3-2-4-9-18)28(24)15-20-10-6-12-30-20/h2-5,7-9,11,13-14,20H,6,10,12,15-16H2,1H3.
What are the key properties of 9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 432.55 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42933006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).