N-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

C21H18ClF2N5O2S — CID 162384086

IUPACN-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCN=S(C)(=O)c1ccc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)cc1Cl
InChIInChI=1S/C21H18ClF2N5O2S/c1-25-32(3,30)17-7-4-12(10-14(17)22)28-20-21-27-11-15(29(21)9-8-26-20)13-5-6-16(31-2)19(24)18(13)23/h4-11H,1-3H3,(H,26,28)
InChIKeyBNABXBVMRIMRIL-UHFFFAOYSA-N
MW477.92 g/mol
LogP5.17
Rot. Bonds5

About N-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

N-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 162384086) has the molecular formula C21H18ClF2N5O2S and a molecular weight of 477.92 g/mol. Its IUPAC name is N-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID162384086
Molecular FormulaC21H18ClF2N5O2S
Molecular Weight477.92 g/mol
Exact Mass477.08
IUPAC NameN-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCN=S(C)(=O)c1ccc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)cc1Cl
InChIInChI=1S/C21H18ClF2N5O2S/c1-25-32(3,30)17-7-4-12(10-14(17)22)28-20-21-27-11-15(29(21)9-8-26-20)13-5-6-16(31-2)19(24)18(13)23/h4-11H,1-3H3,(H,26,28)
InChIKeyBNABXBVMRIMRIL-UHFFFAOYSA-N
XLogP5.17
TPSA80.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.92
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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

Launch Full Analysis

Related Compounds

[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylphenyl]methyl-trimethylazanium
CID 166890009
2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-[2-hydroxyethyl(methyl)amino]propyl]benzamide
CID 166893118
2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide
CID 162384591
4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoic acid;methyl 4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoate
CID 175887967
4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-(4-oxobutyl)benzamide
CID 154951394
N-(2-aminoethyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 167318488
N-(2-aminocyclopropyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
CID 166586233
2-(3-aminopropyl)-6-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-3,4-dihydroisoquinolin-1-one
CID 149477202
N-(3-acetamidocyclobutyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 166892828
N-(1-amino-2-methylpropan-2-yl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide;hydrochloride
CID 166593330
N-(7-aminoheptyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride
CID 166579740
N-[3-[(2-aminoacetyl)amino]propyl]-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
CID 150483916

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 162384086) is N-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is CN=S(C)(=O)c1ccc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is BNABXBVMRIMRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N5O2S/c1-25-32(3,30)17-7-4-12(10-14(17)22)28-20-21-27-11-15(29(21)9-8-26-20)13-5-6-16(31-2)19(24)18(13)23/h4-11H,1-3H3,(H,26,28).
What are the key properties of N-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
N-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 477.92 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(N,S-dimethylsulfonimidoyl)phenyl]-3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 162384086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).