2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)

C19H17F6N5O4S — CID 155846780

IUPAC2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(-c2cnc3n2CCN(Cc2nccs2)C3)c1
InChIInChI=1S/C15H15N5S.2C2HF3O2/c1-2-12(8-16-3-1)13-9-18-14-10-19(5-6-20(13)14)11-15-17-4-7-21-15;2*3-2(4,5)1(6)7/h1-4,7-9H,5-6,10-11H2;2*(H,6,7)
InChIKeyAAPKMZVTJIKUFN-UHFFFAOYSA-N
MW525.43 g/mol
LogP3.68
Rot. Bonds3

About 2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)

2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155846780) has the molecular formula C19H17F6N5O4S and a molecular weight of 525.43 g/mol. Its IUPAC name is 2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
PubChem CID155846780
Molecular FormulaC19H17F6N5O4S
Molecular Weight525.43 g/mol
Exact Mass525.09
IUPAC Name2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(-c2cnc3n2CCN(Cc2nccs2)C3)c1
InChIInChI=1S/C15H15N5S.2C2HF3O2/c1-2-12(8-16-3-1)13-9-18-14-10-19(5-6-20(13)14)11-15-17-4-7-21-15;2*3-2(4,5)1(6)7/h1-4,7-9H,5-6,10-11H2;2*(H,6,7)
InChIKeyAAPKMZVTJIKUFN-UHFFFAOYSA-N
XLogP3.68
TPSA121.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) 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

US9670204, 42 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)aceticacid
CID 90421072
2-Phenyl-4-[[4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 137637920
2,2-Dimethyl-6-oxo-6-[8-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]hexanoic acid
CID 68357652
US9670204, 60 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-ylsulfonyl)aceticacid
CID 78425997
N-[6-(4,4-difluoropiperidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 78427644
US9670204, 59 methyl2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-ylsulfonyl)acetate
CID 90420926
2-((4-(piperidin-1-ylmethyl)thiazol-2-yl)(3-(2-(pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)propyl)amino)ethyl acetate
CID 24817259
US20240300936, Example 135
CID 166163919
(2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid
CID 155935526
2-[4-Benzothiazol-2-yl-1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 331587
2-Methyl-4-[(4-pyridin-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 118746014
N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118746033

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (CID 155846780) is 2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(-c2cnc3n2CCN(Cc2nccs2)C3)c1.
What is the InChIKey of 2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is AAPKMZVTJIKUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S.2C2HF3O2/c1-2-12(8-16-3-1)13-9-18-14-10-19(5-6-20(13)14)11-15-17-4-7-21-15;2*3-2(4,5)1(6)7/h1-4,7-9H,5-6,10-11H2;2*(H,6,7).
What are the key properties of 2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 525.43 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155846780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).