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

C23H26ClN5O3S — CID 121309861

IUPACN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(NS(=O)(=O)C4CC4)cn23)CC1
InChIInChI=1S/C23H26ClN5O3S/c1-16(30)28-12-10-27(11-13-28)15-21-23(17-2-4-18(24)5-3-17)25-22-9-6-19(14-29(21)22)26-33(31,32)20-7-8-20/h2-6,9,14,20,26H,7-8,10-13,15H2,1H3
InChIKeyNDLAYTHRPYKDAB-UHFFFAOYSA-N
MW488.01 g/mol
LogP3.22
Rot. Bonds6

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

N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide (PubChem CID 121309861) has the molecular formula C23H26ClN5O3S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide
PubChem CID121309861
Molecular FormulaC23H26ClN5O3S
Molecular Weight488.01 g/mol
Exact Mass487.14
IUPAC NameN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(NS(=O)(=O)C4CC4)cn23)CC1
InChIInChI=1S/C23H26ClN5O3S/c1-16(30)28-12-10-27(11-13-28)15-21-23(17-2-4-18(24)5-3-17)25-22-9-6-19(14-29(21)22)26-33(31,32)20-7-8-20/h2-6,9,14,20,26H,7-8,10-13,15H2,1H3
InChIKeyNDLAYTHRPYKDAB-UHFFFAOYSA-N
XLogP3.22
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 53.22
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]cyclopropanesulfonamide?
The IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide (CID 121309861) is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(NS(=O)(=O)C4CC4)cn23)CC1.
What is the InChIKey of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide?
The InChIKey is NDLAYTHRPYKDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3S/c1-16(30)28-12-10-27(11-13-28)15-21-23(17-2-4-18(24)5-3-17)25-22-9-6-19(14-29(21)22)26-33(31,32)20-7-8-20/h2-6,9,14,20,26H,7-8,10-13,15H2,1H3.
What are the key properties of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide?
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide has a molecular weight of 488.01 g/mol, XLogP of 3.22, 6 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]cyclopropanesulfonamide is sourced from PubChem (CID 121309861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).