[3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate

C100H72F23N26O4+ — CID 160595344

About [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate

[3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate (PubChem CID 160595344) has the molecular formula C100H72F23N26O4+ and a molecular weight of 2138.81 g/mol. Its IUPAC name is [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate.

Molecular Properties

• Compound Name: [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate
• PubChem CID: 160595344
• Molecular Formula: C100H72F23N26O4+
• Molecular Weight: 2138.81 g/mol
• Exact Mass: 2137.59
• IUPAC Name: [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate
• SMILES: Cc1nc2ccc(N)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.N#Cc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(CO)nc3ccccn23)c1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(CO)nc3ccccn23)c1.O.O[NH2+]c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1
• InChI: InChI=1S/C21H14F3N5O.C20H12F7N5O.C20H12F7N5.C20H16F3N5O.C19H15F3N6.H2O/c22-21(23,24)14-4-6-15(7-5-14)26-18-10-13(11-25)9-16(27-18)20-17(12-30)28-19-3-1-2-8-29(19)20;21-11-3-6-16-30-18(20(25,26)27)17(32(16)9-11)14-7-13(31-33)8-15(29-14)28-12-4-1-10(2-5-12)19(22,23)24;21-11-3-6-16-31-18(20(25,26)27)17(32(16)9-11)14-7-12(28)8-15(30-14)29-13-4-1-10(2-5-13)19(22,23)24;21-20(22,23)12-4-6-14(7-5-12)25-17-10-13(24)9-15(26-17)19-16(11-29)27-18-3-1-2-8-28(18)19;1-11-25-15-7-4-13(23)8-16(15)28(11)18-10-24-9-17(27-18)26-14-5-2-12(3-6-14)19(20,21)22;/h1-10,30H,12H2,(H,26,27);1-9,33H,(H2,28,29,31);1-9H,(H3,28,29,30);1-10,29H,11H2,(H3,24,25,26);2-10H,23H2,1H3,(H,26,27);1H2/p+1
• InChIKey: KOIIYCCVIOYTAF-UHFFFAOYSA-O
• XLogP: 23.20
• TPSA: 435.16 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2138.81
LogP ≤ 5	23.20
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate?

The IUPAC name of [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate (CID 160595344) is [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate.

What is the SMILES notation for [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate?

The canonical SMILES for [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate is Cc1nc2ccc(N)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.N#Cc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(CO)nc3ccccn23)c1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(CO)nc3ccccn23)c1.O.O[NH2+]c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1.

What is the InChIKey of [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate?

The InChIKey is KOIIYCCVIOYTAF-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H14F3N5O.C20H12F7N5O.C20H12F7N5.C20H16F3N5O.C19H15F3N6.H2O/c22-21(23,24)14-4-6-15(7-5-14)26-18-10-13(11-25)9-16(27-18)20-17(12-30)28-19-3-1-2-8-29(19)20;21-11-3-6-16-30-18(20(25,26)27)17(32(16)9-11)14-7-13(31-33)8-15(29-14)28-12-4-1-10(2-5-12)19(22,23)24;21-11-3-6-16-31-18(20(25,26)27)17(32(16)9-11)14-7-12(28)8-15(30-14)29-13-4-1-10(2-5-13)19(22,23)24;21-20(22,23)12-4-6-14(7-5-12)25-17-10-13(24)9-15(26-17)19-16(11-29)27-18-3-1-2-8-28(18)19;1-11-25-15-7-4-13(23)8-16(15)28(11)18-10-24-9-17(27-18)26-14-5-2-12(3-6-14)19(20,21)22;/h1-10,30H,12H2,(H,26,27);1-9,33H,(H2,28,29,31);1-9H,(H3,28,29,30);1-10,29H,11H2,(H3,24,25,26);2-10H,23H2,1H3,(H,26,27);1H2/p+1.

What are the key properties of [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate?

[3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate has a molecular weight of 2138.81 g/mol, XLogP of 23.20, 18 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol;[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-hydroxyazanium;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;hydrate is sourced from PubChem (CID 160595344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).