1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one

C19H22N4OS — CID 129070400

IUPAC1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
SMILESCc1cc(-c2ccc3ncc(SN4CCCCC4)n3c2)cn(C)c1=O
InChIInChI=1S/C19H22N4OS/c1-14-10-16(12-21(2)19(14)24)15-6-7-17-20-11-18(23(17)13-15)25-22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyYUAFGLVREQAXLP-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.50
Rot. Bonds3

About 1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one

1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one (PubChem CID 129070400) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
PubChem CID129070400
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
SMILESCc1cc(-c2ccc3ncc(SN4CCCCC4)n3c2)cn(C)c1=O
InChIInChI=1S/C19H22N4OS/c1-14-10-16(12-21(2)19(14)24)15-6-7-17-20-11-18(23(17)13-15)25-22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyYUAFGLVREQAXLP-UHFFFAOYSA-N
XLogP3.50
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one (CID 129070400) is 1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one is Cc1cc(-c2ccc3ncc(SN4CCCCC4)n3c2)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The InChIKey is YUAFGLVREQAXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-14-10-16(12-21(2)19(14)24)15-6-7-17-20-11-18(23(17)13-15)25-22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one has a molecular weight of 354.48 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one is sourced from PubChem (CID 129070400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).