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

C16H17N5OS — CID 24919666

IUPAC6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2ccccn2c1CN1CCc2[nH]c(=S)[nH]c(=O)c2C1
InChIInChI=1S/C16H17N5OS/c1-10-13(21-6-3-2-4-14(21)17-10)9-20-7-5-12-11(8-20)15(22)19-16(23)18-12/h2-4,6H,5,7-9H2,1H3,(H2,18,19,22,23)
InChIKeyZLLPFLDLPPGCTG-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.95
Rot. Bonds2

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

6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 24919666) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 6-[(2-methylimidazo[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-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID24919666
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2ccccn2c1CN1CCc2[nH]c(=S)[nH]c(=O)c2C1
InChIInChI=1S/C16H17N5OS/c1-10-13(21-6-3-2-4-14(21)17-10)9-20-7-5-12-11(8-20)15(22)19-16(23)18-12/h2-4,6H,5,7-9H2,1H3,(H2,18,19,22,23)
InChIKeyZLLPFLDLPPGCTG-UHFFFAOYSA-N
XLogP1.95
TPSA69.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943827
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-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24922039
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
7-[(6-methyl-2-pyridinyl)methyl]-2-sulfanylidene-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 24935599
6-[(2,5-difluorophenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24924804
6-[(5-phenylthiophen-2-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24918681
6-[(6-bromo-3-pyridinyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24921178
6-[(4-ethoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24927402

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylimidazo[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-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 24919666) is 6-[(2-methylimidazo[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-methylimidazo[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-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2ccccn2c1CN1CCc2[nH]c(=S)[nH]c(=O)c2C1.
What is the InChIKey of 6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZLLPFLDLPPGCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-10-13(21-6-3-2-4-14(21)17-10)9-20-7-5-12-11(8-20)15(22)19-16(23)18-12/h2-4,6H,5,7-9H2,1H3,(H2,18,19,22,23).
What are the key properties of 6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2-methylimidazo[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 327.41 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylimidazo[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 24919666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).