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

C44H36F6N8O5 — CID 167694206

IUPAC2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-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(-c3cnc4ccccn34)cn2)cc1C(F)(F)F.O=C(O)COc1ccc(-c2cnc3ccccn23)cn1
InChIInChI=1S/C22H17F3N4O2.C14H11N3O3.C8H8F3N/c1-14-5-7-16(10-17(14)22(23,24)25)28-20(30)13-31-21-8-6-15(11-27-21)18-12-26-19-4-2-3-9-29(18)19;18-14(19)9-20-13-5-4-10(7-16-13)11-8-15-12-3-1-2-6-17(11)12;1-5-2-3-6(12)4-7(5)8(9,10)11/h2-12H,13H2,1H3,(H,28,30);1-8H,9H2,(H,18,19);2-4H,12H2,1H3
InChIKeyXKBUURVZGPMNTD-UHFFFAOYSA-N
MW870.81 g/mol
LogP9.20
Rot. Bonds9

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

2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline (PubChem CID 167694206) has the molecular formula C44H36F6N8O5 and a molecular weight of 870.81 g/mol. Its IUPAC name is 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline
PubChem CID167694206
Molecular FormulaC44H36F6N8O5
Molecular Weight870.81 g/mol
Exact Mass870.27
IUPAC Name2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-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(-c3cnc4ccccn34)cn2)cc1C(F)(F)F.O=C(O)COc1ccc(-c2cnc3ccccn23)cn1
InChIInChI=1S/C22H17F3N4O2.C14H11N3O3.C8H8F3N/c1-14-5-7-16(10-17(14)22(23,24)25)28-20(30)13-31-21-8-6-15(11-27-21)18-12-26-19-4-2-3-9-29(18)19;18-14(19)9-20-13-5-4-10(7-16-13)11-8-15-12-3-1-2-6-17(11)12;1-5-2-3-6(12)4-7(5)8(9,10)11/h2-12H,13H2,1H3,(H,28,30);1-8H,9H2,(H,18,19);2-4H,12H2,1H3
InChIKeyXKBUURVZGPMNTD-UHFFFAOYSA-N
XLogP9.20
TPSA171.26 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500870.81
LogP ≤ 59.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-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
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)acetamide
CID 76071989
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-((5-(6-(Piperazin-1-yl)pyridin-3-yl)-8-(pyridin-4-yl)imidazo[1,2-a]pyrazin-2-yl)methoxy)quinoline trifluoroacetic acid salt
CID 117728020
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
2-(4-imidazo[1,2-a]pyridin-8-ylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 123202565
N-[4-[(4-ethylidenepiperazin-4-ium-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide
CID 123914824
ethane;2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 142615465

Frequently Asked Questions

What is the IUPAC name of 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline (CID 167694206) is 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-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(-c3cnc4ccccn34)cn2)cc1C(F)(F)F.O=C(O)COc1ccc(-c2cnc3ccccn23)cn1.
What is the InChIKey of 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline?
The InChIKey is XKBUURVZGPMNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2.C14H11N3O3.C8H8F3N/c1-14-5-7-16(10-17(14)22(23,24)25)28-20(30)13-31-21-8-6-15(11-27-21)18-12-26-19-4-2-3-9-29(18)19;18-14(19)9-20-13-5-4-10(7-16-13)11-8-15-12-3-1-2-6-17(11)12;1-5-2-3-6(12)4-7(5)8(9,10)11/h2-12H,13H2,1H3,(H,28,30);1-8H,9H2,(H,18,19);2-4H,12H2,1H3.
What are the key properties of 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline?
2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline has a molecular weight of 870.81 g/mol, XLogP of 9.20, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;4-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 167694206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).