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

C19H22N4O3S — CID 129070396

IUPAC1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
SMILESCc1cc(-c2ccc3ncc(S(=O)(=O)N4CCCCC4)n3c2)cn(C)c1=O
InChIInChI=1S/C19H22N4O3S/c1-14-10-16(12-21(2)19(14)24)15-6-7-17-20-11-18(23(17)13-15)27(25,26)22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyNIKJWVFPXDCYDI-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.18
Rot. Bonds3

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

1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one (PubChem CID 129070396) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
PubChem CID129070396
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
SMILESCc1cc(-c2ccc3ncc(S(=O)(=O)N4CCCCC4)n3c2)cn(C)c1=O
InChIInChI=1S/C19H22N4O3S/c1-14-10-16(12-21(2)19(14)24)15-6-7-17-20-11-18(23(17)13-15)27(25,26)22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyNIKJWVFPXDCYDI-UHFFFAOYSA-N
XLogP2.18
TPSA76.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one (CID 129070396) is 1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one is Cc1cc(-c2ccc3ncc(S(=O)(=O)N4CCCCC4)n3c2)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The InChIKey is NIKJWVFPXDCYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-14-10-16(12-21(2)19(14)24)15-6-7-17-20-11-18(23(17)13-15)27(25,26)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-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one has a molecular weight of 386.48 g/mol, XLogP of 2.18, 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-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one is sourced from PubChem (CID 129070396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).