2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine

C64H53F12N16O5+ — CID 158892143

IUPAC2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine
SMILESCc1nc2ccc(F)cn2c1-c1cc(NO)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cn2c1-c1cc([N+](=O)[O-])cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2n(c1-c1cc(NCCO)cc(Nc3ccc(C(F)(F)F)cc3)n1)C=C(F)[C+]=C2.NCCO
InChIInChI=1S/C22H18F4N5O.C20H13F4N5O2.C20H15F4N5O.C2H7NO/c1-13-21(31-12-15(23)4-7-20(31)28-13)18-10-17(27-8-9-32)11-19(30-18)29-16-5-2-14(3-6-16)22(24,25)26;1-11-19(28-10-13(21)4-7-18(28)25-11)16-8-15(29(30)31)9-17(27-16)26-14-5-2-12(3-6-14)20(22,23)24;1-11-19(29-10-13(21)4-7-18(29)25-11)16-8-15(28-30)9-17(27-16)26-14-5-2-12(3-6-14)20(22,23)24;3-1-2-4/h2-3,5-7,10-12,32H,8-9H2,1H3,(H2,27,29,30);2-10H,1H3,(H,26,27);2-10,30H,1H3,(H2,26,27,28);4H,1-3H2/q+1;;;
InChIKeyJEJHEJDONSGWKX-UHFFFAOYSA-N
MW1354.21 g/mol
LogP14.88
Rot. Bonds15

About 2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine

2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine (PubChem CID 158892143) has the molecular formula C64H53F12N16O5+ and a molecular weight of 1354.21 g/mol. Its IUPAC name is 2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine.

Molecular Properties

Compound Name2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine
PubChem CID158892143
Molecular FormulaC64H53F12N16O5+
Molecular Weight1354.21 g/mol
Exact Mass1353.42
IUPAC Name2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine
SMILESCc1nc2ccc(F)cn2c1-c1cc(NO)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cn2c1-c1cc([N+](=O)[O-])cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2n(c1-c1cc(NCCO)cc(Nc3ccc(C(F)(F)F)cc3)n1)C=C(F)[C+]=C2.NCCO
InChIInChI=1S/C22H18F4N5O.C20H13F4N5O2.C20H15F4N5O.C2H7NO/c1-13-21(31-12-15(23)4-7-20(31)28-13)18-10-17(27-8-9-32)11-19(30-18)29-16-5-2-14(3-6-16)22(24,25)26;1-11-19(28-10-13(21)4-7-18(28)25-11)16-8-15(29(30)31)9-17(27-16)26-14-5-2-12(3-6-14)20(22,23)24;1-11-19(29-10-13(21)4-7-18(29)25-11)16-8-15(28-30)9-17(27-16)26-14-5-2-12(3-6-14)20(22,23)24;3-1-2-4/h2-3,5-7,10-12,32H,8-9H2,1H3,(H2,27,29,30);2-10H,1H3,(H,26,27);2-10,30H,1H3,(H2,26,27,28);4H,1-3H2/q+1;;;
InChIKeyJEJHEJDONSGWKX-UHFFFAOYSA-N
XLogP14.88
TPSA281.09 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001354.21
LogP ≤ 514.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine with MolForge

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Related Compounds

2-[[2-[6-Fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridin-4-yl]amino]ethanol
CID 118101441
5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 118164333
5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine
CID 118164335
5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-[(3R)-piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 118164365
2-[[2-(6-Fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol
CID 122578370
[2-[6-Fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium
CID 123316424
2-[8-[2-amino-2-(5-fluoro-2-pyridinyl)ethyl]-6-fluoroimidazo[1,2-a]pyridin-3-yl]-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine
CID 153650451
Tris[1,1,1,3,3,3-hexafluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]propan-2-yl] phosphate
CID 155339156
Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 157063868
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid
CID 157116367
dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;methane;oxido formate
CID 157457835
N-[4-[3-(3,3-difluorocyclobutyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylazetidin-3-yl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 157498070

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine?
The IUPAC name of 2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine (CID 158892143) is 2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine.
What is the SMILES notation for 2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine?
The canonical SMILES for 2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine is Cc1nc2ccc(F)cn2c1-c1cc(NO)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cn2c1-c1cc([N+](=O)[O-])cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2n(c1-c1cc(NCCO)cc(Nc3ccc(C(F)(F)F)cc3)n1)C=C(F)[C+]=C2.NCCO.
What is the InChIKey of 2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine?
The InChIKey is JEJHEJDONSGWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N5O.C20H13F4N5O2.C20H15F4N5O.C2H7NO/c1-13-21(31-12-15(23)4-7-20(31)28-13)18-10-17(27-8-9-32)11-19(30-18)29-16-5-2-14(3-6-16)22(24,25)26;1-11-19(28-10-13(21)4-7-18(28)25-11)16-8-15(29(30)31)9-17(27-16)26-14-5-2-12(3-6-14)20(22,23)24;1-11-19(29-10-13(21)4-7-18(29)25-11)16-8-15(28-30)9-17(27-16)26-14-5-2-12(3-6-14)20(22,23)24;3-1-2-4/h2-3,5-7,10-12,32H,8-9H2,1H3,(H2,27,29,30);2-10H,1H3,(H,26,27);2-10,30H,1H3,(H2,26,27,28);4H,1-3H2/q+1;;;.
What are the key properties of 2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine?
2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine has a molecular weight of 1354.21 g/mol, XLogP of 14.88, 15 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine is sourced from PubChem (CID 158892143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).