6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide

C19H22N4O3S — CID 129071010

IUPAC6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide
SMILESCc1cc(-c2ccc3ncc(S(=O)N(C)C4CCOC4)n3c2)cn(C)c1=O
InChIInChI=1S/C19H22N4O3S/c1-13-8-15(10-21(2)19(13)24)14-4-5-17-20-9-18(23(17)11-14)27(25)22(3)16-6-7-26-12-16/h4-5,8-11,16H,6-7,12H2,1-3H3
InChIKeyQEGNRMYZVNHUOJ-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.75
Rot. Bonds4

About 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide

6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide (PubChem CID 129071010) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide.

Molecular Properties

Compound Name6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide
PubChem CID129071010
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide
SMILESCc1cc(-c2ccc3ncc(S(=O)N(C)C4CCOC4)n3c2)cn(C)c1=O
InChIInChI=1S/C19H22N4O3S/c1-13-8-15(10-21(2)19(13)24)14-4-5-17-20-9-18(23(17)11-14)27(25)22(3)16-6-7-26-12-16/h4-5,8-11,16H,6-7,12H2,1-3H3
InChIKeyQEGNRMYZVNHUOJ-UHFFFAOYSA-N
XLogP1.75
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide?
The IUPAC name of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide (CID 129071010) is 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide.
What is the SMILES notation for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide?
The canonical SMILES for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide is Cc1cc(-c2ccc3ncc(S(=O)N(C)C4CCOC4)n3c2)cn(C)c1=O.
What is the InChIKey of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide?
The InChIKey is QEGNRMYZVNHUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-8-15(10-21(2)19(13)24)14-4-5-17-20-9-18(23(17)11-14)27(25)22(3)16-6-7-26-12-16/h4-5,8-11,16H,6-7,12H2,1-3H3.
What are the key properties of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide?
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide has a molecular weight of 386.48 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfinamide is sourced from PubChem (CID 129071010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).