2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline

C42H32F8N10O5 — CID 167703311

IUPAC2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline
SMILESCc1ccc(N)cc1C(F)(F)F.Cc1ccc(NC(=O)COc2ccc(-c3cnc4cnccn34)c(F)n2)cc1C(F)(F)F.O=C(O)COc1ccc(-c2cnc3cnccn23)c(F)n1
InChIInChI=1S/C21H15F4N5O2.C13H9FN4O3.C8H8F3N/c1-12-2-3-13(8-15(12)21(23,24)25)28-18(31)11-32-19-5-4-14(20(22)29-19)16-9-27-17-10-26-6-7-30(16)17;14-13-8(1-2-11(17-13)21-7-12(19)20)9-5-16-10-6-15-3-4-18(9)10;1-5-2-3-6(12)4-7(5)8(9,10)11/h2-10H,11H2,1H3,(H,28,31);1-6H,7H2,(H,19,20);2-4H,12H2,1H3
InChIKeyYSKISDXUTGGPPH-UHFFFAOYSA-N
MW908.77 g/mol
LogP8.26
Rot. Bonds9

About 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline

2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline (PubChem CID 167703311) has the molecular formula C42H32F8N10O5 and a molecular weight of 908.77 g/mol. Its IUPAC name is 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline
PubChem CID167703311
Molecular FormulaC42H32F8N10O5
Molecular Weight908.77 g/mol
Exact Mass908.24
IUPAC Name2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline
SMILESCc1ccc(N)cc1C(F)(F)F.Cc1ccc(NC(=O)COc2ccc(-c3cnc4cnccn34)c(F)n2)cc1C(F)(F)F.O=C(O)COc1ccc(-c2cnc3cnccn23)c(F)n1
InChIInChI=1S/C21H15F4N5O2.C13H9FN4O3.C8H8F3N/c1-12-2-3-13(8-15(12)21(23,24)25)28-18(31)11-32-19-5-4-14(20(22)29-19)16-9-27-17-10-26-6-7-30(16)17;14-13-8(1-2-11(17-13)21-7-12(19)20)9-5-16-10-6-15-3-4-18(9)10;1-5-2-3-6(12)4-7(5)8(9,10)11/h2-10H,11H2,1H3,(H,28,31);1-6H,7H2,(H,19,20);2-4H,12H2,1H3
InChIKeyYSKISDXUTGGPPH-UHFFFAOYSA-N
XLogP8.26
TPSA197.04 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500908.77
LogP ≤ 58.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline with MolForge

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Related Compounds

2-[2-[[3-[8-(Pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]carbamoylamino]-4-(trifluoromethyl)phenoxy]acetic acid
CID 11642702
2-[4-[2-oxo-8-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid
CID 56602685
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-imidazo[1,2-a]pyridin-5-ylphenoxy)acetamide
CID 76071986
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide
CID 76071988
4-[5-(6-Piperazin-1-ylpyridin-3-yl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one;2,2,2-trifluoroacetic acid
CID 86345851
2-[[8-(4-Methoxypiperidin-1-yl)-5-(6-piperazin-1-ylpyridin-3-yl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline;2,2,2-trifluoroacetic acid
CID 117728041
2-((5-(6-(piperazin-1-yl)pyridin-3-yl)-8-(tetrahydro-2H-pyran-4-yl)imidazo[1,2-a]pyrazin-2-yl)methoxy)quinoline trifluoroacetic acid salt
CID 117728069
3-[[6-[4-[[4-[2-(Dimethylamino)ethoxy]phenyl]methyl]piperazin-1-yl]-5-fluoro-2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 118164287
N-[4-[(4-ethylidenepiperazin-4-ium-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide
CID 123914824
3-(1,1-Difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine;ethane
CID 142362580
ethane;2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 142615465
2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 142615466

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline (CID 167703311) is 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline is Cc1ccc(N)cc1C(F)(F)F.Cc1ccc(NC(=O)COc2ccc(-c3cnc4cnccn34)c(F)n2)cc1C(F)(F)F.O=C(O)COc1ccc(-c2cnc3cnccn23)c(F)n1.
What is the InChIKey of 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline?
The InChIKey is YSKISDXUTGGPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N5O2.C13H9FN4O3.C8H8F3N/c1-12-2-3-13(8-15(12)21(23,24)25)28-18(31)11-32-19-5-4-14(20(22)29-19)16-9-27-17-10-26-6-7-30(16)17;14-13-8(1-2-11(17-13)21-7-12(19)20)9-5-16-10-6-15-3-4-18(9)10;1-5-2-3-6(12)4-7(5)8(9,10)11/h2-10H,11H2,1H3,(H,28,31);1-6H,7H2,(H,19,20);2-4H,12H2,1H3.
What are the key properties of 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline?
2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline has a molecular weight of 908.77 g/mol, XLogP of 8.26, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 167703311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).