ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine

C54H50F6N18O5 — CID 167704839

IUPACethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCCOC(=O)CNc1ccc(-c2cnc3ccccn23)cn1.Cn1nc(N)cc1C(F)(F)F.Cn1nc(NC(=O)CNc2ccc(-c3cnc4ccccn34)cn2)cc1C(F)(F)F.O=C(O)CNc1ccc(-c2cnc3ccccn23)cn1
InChIInChI=1S/C19H16F3N7O.C16H16N4O2.C14H12N4O2.C5H6F3N3/c1-28-14(19(20,21)22)8-16(27-28)26-18(30)11-24-15-6-5-12(9-23-15)13-10-25-17-4-2-3-7-29(13)17;1-2-22-16(21)11-18-14-7-6-12(9-17-14)13-10-19-15-5-3-4-8-20(13)15;19-14(20)9-16-12-5-4-10(7-15-12)11-8-17-13-3-1-2-6-18(11)13;1-11-3(5(6,7)8)2-4(9)10-11/h2-10H,11H2,1H3,(H,23,24)(H,26,27,30);3-10H,2,11H2,1H3,(H,17,18);1-8H,9H2,(H,15,16)(H,19,20);2H,1H3,(H2,9,10)
InChIKeyYYEPKCBXLBMRLL-UHFFFAOYSA-N
MW1145.10 g/mol
LogP8.48
Rot. Bonds14

About ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine

ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 167704839) has the molecular formula C54H50F6N18O5 and a molecular weight of 1145.10 g/mol. Its IUPAC name is ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Nameethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID167704839
Molecular FormulaC54H50F6N18O5
Molecular Weight1145.10 g/mol
Exact Mass1144.41
IUPAC Nameethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCCOC(=O)CNc1ccc(-c2cnc3ccccn23)cn1.Cn1nc(N)cc1C(F)(F)F.Cn1nc(NC(=O)CNc2ccc(-c3cnc4ccccn34)cn2)cc1C(F)(F)F.O=C(O)CNc1ccc(-c2cnc3ccccn23)cn1
InChIInChI=1S/C19H16F3N7O.C16H16N4O2.C14H12N4O2.C5H6F3N3/c1-28-14(19(20,21)22)8-16(27-28)26-18(30)11-24-15-6-5-12(9-23-15)13-10-25-17-4-2-3-7-29(13)17;1-2-22-16(21)11-18-14-7-6-12(9-17-14)13-10-19-15-5-3-4-8-20(13)15;19-14(20)9-16-12-5-4-10(7-15-12)11-8-17-13-3-1-2-6-18(11)13;1-11-3(5(6,7)8)2-4(9)10-11/h2-10H,11H2,1H3,(H,23,24)(H,26,27,30);3-10H,2,11H2,1H3,(H,17,18);1-8H,9H2,(H,15,16)(H,19,20);2H,1H3,(H2,9,10)
InChIKeyYYEPKCBXLBMRLL-UHFFFAOYSA-N
XLogP8.48
TPSA281.02 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001145.10
LogP ≤ 58.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine with MolForge

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Related Compounds

N-[6-[difluoro-[6-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233079
N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233294
(2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 117750932
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
N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;1-(1H-pyrrol-2-yl)-N-[(E)-1-[6-(trifluoromethyl)-2-pyridinyl]but-1-enyl]ethanimine
CID 145236222
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-[(3R)-3-fluoropyrrolidin-1-yl]-1-[[2-[[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]methyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 145564679
1-[2-(ethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-(3-methoxypropyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-[2-(methylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;methyl 4-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]butanoate;2-[2-oxo-5-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]carbamoyl]-1-pyridinyl]acetic acid
CID 157109304
4-[6-[6-(Difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine
CID 157125171
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
(2S)-2-[[4-morpholin-4-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[4-pyrrolidin-1-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[6-pyrrolidin-1-yl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[4-pyrrolidin-1-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 157253615
tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide
CID 157284406
tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 157286162

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine (CID 167704839) is ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine is CCOC(=O)CNc1ccc(-c2cnc3ccccn23)cn1.Cn1nc(N)cc1C(F)(F)F.Cn1nc(NC(=O)CNc2ccc(-c3cnc4ccccn34)cn2)cc1C(F)(F)F.O=C(O)CNc1ccc(-c2cnc3ccccn23)cn1.
What is the InChIKey of ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is YYEPKCBXLBMRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O.C16H16N4O2.C14H12N4O2.C5H6F3N3/c1-28-14(19(20,21)22)8-16(27-28)26-18(30)11-24-15-6-5-12(9-23-15)13-10-25-17-4-2-3-7-29(13)17;1-2-22-16(21)11-18-14-7-6-12(9-17-14)13-10-19-15-5-3-4-8-20(13)15;19-14(20)9-16-12-5-4-10(7-15-12)11-8-17-13-3-1-2-6-18(11)13;1-11-3(5(6,7)8)2-4(9)10-11/h2-10H,11H2,1H3,(H,23,24)(H,26,27,30);3-10H,2,11H2,1H3,(H,17,18);1-8H,9H2,(H,15,16)(H,19,20);2H,1H3,(H2,9,10).
What are the key properties of ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 1145.10 g/mol, XLogP of 8.48, 14 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]acetic acid;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-methyl-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 167704839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).