4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide

C21H26ClN5O4S — CID 140914375

IUPAC4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C21H26ClN5O4S/c1-24(2)32(29,30)27-8-6-25(7-9-27)16-4-5-26-13-19(23-21(26)11-16)17-12-18(22)20(31-3)10-15(17)14-28/h4-5,10-13,28H,6-9,14H2,1-3H3
InChIKeyJLIHOAKULIMMIN-UHFFFAOYSA-N
MW479.99 g/mol
LogP2.08
Rot. Bonds6

About 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide

4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 140914375) has the molecular formula C21H26ClN5O4S and a molecular weight of 479.99 g/mol. Its IUPAC name is 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID140914375
Molecular FormulaC21H26ClN5O4S
Molecular Weight479.99 g/mol
Exact Mass479.14
IUPAC Name4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C21H26ClN5O4S/c1-24(2)32(29,30)27-8-6-25(7-9-27)16-4-5-26-13-19(23-21(26)11-16)17-12-18(22)20(31-3)10-15(17)14-28/h4-5,10-13,28H,6-9,14H2,1-3H3
InChIKeyJLIHOAKULIMMIN-UHFFFAOYSA-N
XLogP2.08
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide 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 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide (CID 140914375) is 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide is COc1cc(CO)c(-c2cn3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3n2)cc1Cl.
What is the InChIKey of 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is JLIHOAKULIMMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O4S/c1-24(2)32(29,30)27-8-6-25(7-9-27)16-4-5-26-13-19(23-21(26)11-16)17-12-18(22)20(31-3)10-15(17)14-28/h4-5,10-13,28H,6-9,14H2,1-3H3.
What are the key properties of 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 479.99 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 140914375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).