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

C24H30ClN5O3S — CID 121309924

IUPACN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-propan-2-ylmethanesulfonamide
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(N(C(C)C)S(C)(=O)=O)cn23)CC1
InChIInChI=1S/C24H30ClN5O3S/c1-17(2)30(34(4,32)33)21-9-10-23-26-24(19-5-7-20(25)8-6-19)22(29(23)15-21)16-27-11-13-28(14-12-27)18(3)31/h5-10,15,17H,11-14,16H2,1-4H3
InChIKeyARONQNLHSYWLKW-UHFFFAOYSA-N
MW504.06 g/mol
LogP3.49
Rot. Bonds6

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

N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-propan-2-ylmethanesulfonamide (PubChem CID 121309924) has the molecular formula C24H30ClN5O3S and a molecular weight of 504.06 g/mol. Its IUPAC name is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-propan-2-ylmethanesulfonamide
PubChem CID121309924
Molecular FormulaC24H30ClN5O3S
Molecular Weight504.06 g/mol
Exact Mass503.18
IUPAC NameN-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-propan-2-ylmethanesulfonamide
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(N(C(C)C)S(C)(=O)=O)cn23)CC1
InChIInChI=1S/C24H30ClN5O3S/c1-17(2)30(34(4,32)33)21-9-10-23-26-24(19-5-7-20(25)8-6-19)22(29(23)15-21)16-27-11-13-28(14-12-27)18(3)31/h5-10,15,17H,11-14,16H2,1-4H3
InChIKeyARONQNLHSYWLKW-UHFFFAOYSA-N
XLogP3.49
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.06
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-propan-2-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-propan-2-ylmethanesulfonamide (CID 121309924) is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-propan-2-ylmethanesulfonamide is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(N(C(C)C)S(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]-N-propan-2-ylmethanesulfonamide?
The InChIKey is ARONQNLHSYWLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3S/c1-17(2)30(34(4,32)33)21-9-10-23-26-24(19-5-7-20(25)8-6-19)22(29(23)15-21)16-27-11-13-28(14-12-27)18(3)31/h5-10,15,17H,11-14,16H2,1-4H3.
What are the key properties of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-propan-2-ylmethanesulfonamide?
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 504.06 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 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]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 121309924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).