5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one

C21H20F3N5OS — CID 146544790

IUPAC5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one
SMILESCSc1cc(-c2cnc3c(N)nc(C(F)(F)F)cn23)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C21H20F3N5OS/c1-10(11-3-4-11)28-8-13-5-12(6-15(31-2)17(13)20(28)30)14-7-26-19-18(25)27-16(9-29(14)19)21(22,23)24/h5-7,9-11H,3-4,8H2,1-2H3,(H2,25,27)/t10-/m0/s1
InChIKeyITCCNBIOQRNIGA-JTQLQIEISA-N
MW447.49 g/mol
LogP4.47
Rot. Bonds4

About 5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one

5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one (PubChem CID 146544790) has the molecular formula C21H20F3N5OS and a molecular weight of 447.49 g/mol. Its IUPAC name is 5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one
PubChem CID146544790
Molecular FormulaC21H20F3N5OS
Molecular Weight447.49 g/mol
Exact Mass447.13
IUPAC Name5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one
SMILESCSc1cc(-c2cnc3c(N)nc(C(F)(F)F)cn23)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C21H20F3N5OS/c1-10(11-3-4-11)28-8-13-5-12(6-15(31-2)17(13)20(28)30)14-7-26-19-18(25)27-16(9-29(14)19)21(22,23)24/h5-7,9-11H,3-4,8H2,1-2H3,(H2,25,27)/t10-/m0/s1
InChIKeyITCCNBIOQRNIGA-JTQLQIEISA-N
XLogP4.47
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one 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

N-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314
4-[6-benzyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 57382738
N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381224
N-cyclopropyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381444
4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 57407261
N-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67987896
4-{6-cyano-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyrazin-3-yl}-N-cyclopropyl-2-methylbenzamide
CID 86718513
N-cyclopropyl-2-methyl-4-[6-(2-phenylethyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 156018550
N-(2-dimethylamino-ethyl)-4-[3-(2-thienyl)imidazo [1,2-a]pyrazin-6-yl]benzamide
CID 126673281
N-(2-dimethylamino-ethyl)-4-[3-(3-thienyl)imidazo [1,2-a]pyrazin-6-yl]benzamide
CID 135316081
N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389728
N-cyclopropyl-4-[6-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 54766249

Frequently Asked Questions

What is the IUPAC name of 5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one?
The IUPAC name of 5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one (CID 146544790) is 5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one.
What is the SMILES notation for 5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one?
The canonical SMILES for 5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one is CSc1cc(-c2cnc3c(N)nc(C(F)(F)F)cn23)cc2c1C(=O)N([C@@H](C)C1CC1)C2.
What is the InChIKey of 5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one?
The InChIKey is ITCCNBIOQRNIGA-JTQLQIEISA-N. The full InChI is InChI=1S/C21H20F3N5OS/c1-10(11-3-4-11)28-8-13-5-12(6-15(31-2)17(13)20(28)30)14-7-26-19-18(25)27-16(9-29(14)19)21(22,23)24/h5-7,9-11H,3-4,8H2,1-2H3,(H2,25,27)/t10-/m0/s1.
What are the key properties of 5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one?
5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one has a molecular weight of 447.49 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-3H-isoindol-1-one is sourced from PubChem (CID 146544790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).