N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide

C21H24ClN5O3S — CID 121309806

IUPACN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(NS(C)(=O)=O)cn23)CC1
InChIInChI=1S/C21H24ClN5O3S/c1-15(28)26-11-9-25(10-12-26)14-19-21(16-3-5-17(22)6-4-16)23-20-8-7-18(13-27(19)20)24-31(2,29)30/h3-8,13,24H,9-12,14H2,1-2H3
InChIKeyAJVPHKPASVPCTQ-UHFFFAOYSA-N
MW461.98 g/mol
LogP2.69
Rot. Bonds5

About N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide

N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide (PubChem CID 121309806) has the molecular formula C21H24ClN5O3S and a molecular weight of 461.98 g/mol. Its IUPAC name is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
PubChem CID121309806
Molecular FormulaC21H24ClN5O3S
Molecular Weight461.98 g/mol
Exact Mass461.13
IUPAC NameN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(NS(C)(=O)=O)cn23)CC1
InChIInChI=1S/C21H24ClN5O3S/c1-15(28)26-11-9-25(10-12-26)14-19-21(16-3-5-17(22)6-4-16)23-20-8-7-18(13-27(19)20)24-31(2,29)30/h3-8,13,24H,9-12,14H2,1-2H3
InChIKeyAJVPHKPASVPCTQ-UHFFFAOYSA-N
XLogP2.69
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.98
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?
The IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide (CID 121309806) is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(NS(C)(=O)=O)cn23)CC1.
What is the InChIKey of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?
The InChIKey is AJVPHKPASVPCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3S/c1-15(28)26-11-9-25(10-12-26)14-19-21(16-3-5-17(22)6-4-16)23-20-8-7-18(13-27(19)20)24-31(2,29)30/h3-8,13,24H,9-12,14H2,1-2H3.
What are the key properties of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide has a molecular weight of 461.98 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methanesulfonamide is sourced from PubChem (CID 121309806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).