ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine

C59H70F6N18O5 — CID 167594687

IUPACethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESC.C.C.C.C.CCOC(=O)CNc1ccc(-c2cnc3cnccn23)cc1.Cn1nc(N)cc1C(F)(F)F.Cn1nc(NC(=O)CNc2ccc(-c3cnc4cnccn34)cc2)cc1C(F)(F)F.O=C(O)CNc1ccc(-c2cnc3cnccn23)cc1
InChIInChI=1S/C19H16F3N7O.C16H16N4O2.C14H12N4O2.C5H6F3N3.5CH4/c1-28-15(19(20,21)22)8-16(27-28)26-18(30)11-24-13-4-2-12(3-5-13)14-9-25-17-10-23-6-7-29(14)17;1-2-22-16(21)11-18-13-5-3-12(4-6-13)14-9-19-15-10-17-7-8-20(14)15;19-14(20)9-16-11-3-1-10(2-4-11)12-7-17-13-8-15-5-6-18(12)13;1-11-3(5(6,7)8)2-4(9)10-11;;;;;/h2-10,24H,11H2,1H3,(H,26,27,30);3-10,18H,2,11H2,1H3;1-8,16H,9H2,(H,19,20);2H,1H3,(H2,9,10);5*1H4
InChIKeyIWZZTUZRFRXDFE-UHFFFAOYSA-N
MW1225.32 g/mol
LogP11.66
Rot. Bonds14

About ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine

ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 167594687) has the molecular formula C59H70F6N18O5 and a molecular weight of 1225.32 g/mol. Its IUPAC name is ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Nameethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID167594687
Molecular FormulaC59H70F6N18O5
Molecular Weight1225.32 g/mol
Exact Mass1224.57
IUPAC Nameethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESC.C.C.C.C.CCOC(=O)CNc1ccc(-c2cnc3cnccn23)cc1.Cn1nc(N)cc1C(F)(F)F.Cn1nc(NC(=O)CNc2ccc(-c3cnc4cnccn34)cc2)cc1C(F)(F)F.O=C(O)CNc1ccc(-c2cnc3cnccn23)cc1
InChIInChI=1S/C19H16F3N7O.C16H16N4O2.C14H12N4O2.C5H6F3N3.5CH4/c1-28-15(19(20,21)22)8-16(27-28)26-18(30)11-24-13-4-2-12(3-5-13)14-9-25-17-10-23-6-7-29(14)17;1-2-22-16(21)11-18-13-5-3-12(4-6-13)14-9-19-15-10-17-7-8-20(14)15;19-14(20)9-16-11-3-1-10(2-4-11)12-7-17-13-8-15-5-6-18(12)13;1-11-3(5(6,7)8)2-4(9)10-11;;;;;/h2-10,24H,11H2,1H3,(H,26,27,30);3-10,18H,2,11H2,1H3;1-8,16H,9H2,(H,19,20);2H,1H3,(H2,9,10);5*1H4
InChIKeyIWZZTUZRFRXDFE-UHFFFAOYSA-N
XLogP11.66
TPSA281.02 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001225.32
LogP ≤ 511.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine with MolForge

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Related Compounds

N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)-2-morpholinoacetamide
CID 118538631
N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503496
5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 86300957
N-(6-(2-(4-Fluorophenyl)-6-morpholinoimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamide
CID 90241325
1-[4-[[8-[4-[[4-Fluoro-3-[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
CID 90877281
N-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[[4-[2-[[1-(difluoromethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]methyl]-5-methylmorpholin-2-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-3-ium-2-amine
CID 91421822
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
[(2S)-pyrrolidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate;bis(2,2,2-trifluoroacetic acid)
CID 155271628
methyl N-[5-[4-morpholin-4-yl-6-[[2-[4-(prop-2-enoylamino)phenyl]ethylamino]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]carbamate
CID 156192439
tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[[2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyridin-4-ylimidazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;N-(5-pyrimidin-4-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide
CID 157175782
(3E)-3-[[7-(cyclopropylamino)-5-[4-(dimethylamino)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157399172
tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetate;4-ethyl-1-(2-methylpropyl)piperidine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetic acid;hydrochloride
CID 157440497

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine (CID 167594687) is ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine is C.C.C.C.C.CCOC(=O)CNc1ccc(-c2cnc3cnccn23)cc1.Cn1nc(N)cc1C(F)(F)F.Cn1nc(NC(=O)CNc2ccc(-c3cnc4cnccn34)cc2)cc1C(F)(F)F.O=C(O)CNc1ccc(-c2cnc3cnccn23)cc1.
What is the InChIKey of ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is IWZZTUZRFRXDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O.C16H16N4O2.C14H12N4O2.C5H6F3N3.5CH4/c1-28-15(19(20,21)22)8-16(27-28)26-18(30)11-24-13-4-2-12(3-5-13)14-9-25-17-10-23-6-7-29(14)17;1-2-22-16(21)11-18-13-5-3-12(4-6-13)14-9-19-15-10-17-7-8-20(14)15;19-14(20)9-16-11-3-1-10(2-4-11)12-7-17-13-8-15-5-6-18(12)13;1-11-3(5(6,7)8)2-4(9)10-11;;;;;/h2-10,24H,11H2,1H3,(H,26,27,30);3-10,18H,2,11H2,1H3;1-8,16H,9H2,(H,19,20);2H,1H3,(H2,9,10);5*1H4.
What are the key properties of ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 1225.32 g/mol, XLogP of 11.66, 14 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 167594687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).