N-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride

C22H26Cl2N4O4S — CID 3087193

IUPACN-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride
SMILESCS(=O)(=O)Nc1ccc(C(=O)C2CCN(CC(=O)c3cnc4ccccn34)CC2)cc1.Cl.Cl
InChIInChI=1S/C22H24N4O4S.2ClH/c1-31(29,30)24-18-7-5-16(6-8-18)22(28)17-9-12-25(13-10-17)15-20(27)19-14-23-21-4-2-3-11-26(19)21;;/h2-8,11,14,17,24H,9-10,12-13,15H2,1H3;2*1H
InChIKeyCCIKNAUKJHFVIM-UHFFFAOYSA-N
MW513.45 g/mol
LogP3.33
Rot. Bonds7

About N-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride

N-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride (PubChem CID 3087193) has the molecular formula C22H26Cl2N4O4S and a molecular weight of 513.45 g/mol. Its IUPAC name is N-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride
PubChem CID3087193
Molecular FormulaC22H26Cl2N4O4S
Molecular Weight513.45 g/mol
Exact Mass512.11
IUPAC NameN-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride
SMILESCS(=O)(=O)Nc1ccc(C(=O)C2CCN(CC(=O)c3cnc4ccccn34)CC2)cc1.Cl.Cl
InChIInChI=1S/C22H24N4O4S.2ClH/c1-31(29,30)24-18-7-5-16(6-8-18)22(28)17-9-12-25(13-10-17)15-20(27)19-14-23-21-4-2-3-11-26(19)21;;/h2-8,11,14,17,24H,9-10,12-13,15H2,1H3;2*1H
InChIKeyCCIKNAUKJHFVIM-UHFFFAOYSA-N
XLogP3.33
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride?
The IUPAC name of N-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride (CID 3087193) is N-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride.
What is the SMILES notation for N-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride?
The canonical SMILES for N-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride is CS(=O)(=O)Nc1ccc(C(=O)C2CCN(CC(=O)c3cnc4ccccn34)CC2)cc1.Cl.Cl.
What is the InChIKey of N-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride?
The InChIKey is CCIKNAUKJHFVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S.2ClH/c1-31(29,30)24-18-7-5-16(6-8-18)22(28)17-9-12-25(13-10-17)15-20(27)19-14-23-21-4-2-3-11-26(19)21;;/h2-8,11,14,17,24H,9-10,12-13,15H2,1H3;2*1H.
What are the key properties of N-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride?
N-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride has a molecular weight of 513.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride is sourced from PubChem (CID 3087193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).