6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H19N5OS — CID 24920884

IUPAC6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(C)cccn2c1CN1CCc2[nH]c(=S)[nH]c(=O)c2C1
InChIInChI=1S/C17H19N5OS/c1-10-4-3-6-22-14(11(2)18-15(10)22)9-21-7-5-13-12(8-21)16(23)20-17(24)19-13/h3-4,6H,5,7-9H2,1-2H3,(H2,19,20,23,24)
InChIKeyOQGULSPDVAFWOQ-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.26
Rot. Bonds2

About 6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 24920884) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID24920884
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(C)cccn2c1CN1CCc2[nH]c(=S)[nH]c(=O)c2C1
InChIInChI=1S/C17H19N5OS/c1-10-4-3-6-22-14(11(2)18-15(10)22)9-21-7-5-13-12(8-21)16(23)20-17(24)19-13/h3-4,6H,5,7-9H2,1-2H3,(H2,19,20,23,24)
InChIKeyOQGULSPDVAFWOQ-UHFFFAOYSA-N
XLogP2.26
TPSA69.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24919666
2-cyclohexyl-6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944995
6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944997
6-[(5-methylthiophen-2-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24906759
6-[(5-methylfuran-2-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24906528
6-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24923712
2-sulfanylidene-6-[(2,3,4-trihydroxyphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24924174
6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24922039
6-[(6-bromo-3-pyridinyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24921178
7-[(6-methyl-2-pyridinyl)methyl]-2-sulfanylidene-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 24935599
6-[(4-ethoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24927402
[8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56863882

Frequently Asked Questions

What is the IUPAC name of 6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 24920884) is 6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(C)cccn2c1CN1CCc2[nH]c(=S)[nH]c(=O)c2C1.
What is the InChIKey of 6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OQGULSPDVAFWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-10-4-3-6-22-14(11(2)18-15(10)22)9-21-7-5-13-12(8-21)16(23)20-17(24)19-13/h3-4,6H,5,7-9H2,1-2H3,(H2,19,20,23,24).
What are the key properties of 6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 341.44 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 24920884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).