tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine

C99H99Cl10F5N22O8 — CID 157434886

About tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine

tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine (PubChem CID 157434886) has the molecular formula C99H99Cl10F5N22O8 and a molecular weight of 2174.55 g/mol. Its IUPAC name is tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine
• PubChem CID: 157434886
• Molecular Formula: C99H99Cl10F5N22O8
• Molecular Weight: 2174.55 g/mol
• Exact Mass: 2168.48
• IUPAC Name: tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine
• SMILES: CC(Oc1cc(-c2cn(C)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cn(C3CCNCC3)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cn(CC(=O)OC(C)(C)C)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cn(CCN3CCOCC3)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl.Cc1cn(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cn1
• InChI: InChI=1S/C22H24Cl2FN5O2.C22H23Cl2FN4O3.C21H22Cl2FN5O.2C17H15Cl2FN4O/c1-14(20-16(23)2-3-17(25)21(20)24)32-19-10-15(11-27-22(19)26)18-12-30(13-28-18)5-4-29-6-8-31-9-7-29;1-12(19-14(23)5-6-15(25)20(19)24)31-17-7-13(8-27-21(17)26)16-9-29(11-28-16)10-18(30)32-22(2,3)4;1-12(19-15(22)2-3-16(24)20(19)23)30-18-8-13(9-27-21(18)25)17-10-29(11-28-17)14-4-6-26-7-5-14;1-9(15-11(18)3-4-12(20)16(15)19)25-14-5-10(6-22-17(14)21)13-7-24(2)8-23-13;1-9-7-24(8-23-9)11-5-14(17(21)22-6-11)25-10(2)15-12(18)3-4-13(20)16(15)19/h2-3,10-14H,4-9H2,1H3,(H2,26,27);5-9,11-12H,10H2,1-4H3,(H2,26,27);2-3,8-12,14,26H,4-7H2,1H3,(H2,25,27);3-9H,1-2H3,(H2,21,22);3-8,10H,1-2H3,(H2,21,22)
• InChIKey: BQZCPYUSLDGFQR-UHFFFAOYSA-N
• XLogP: 24.33
• TPSA: 380.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2174.55
LogP ≤ 5	24.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine?

The IUPAC name of tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine (CID 157434886) is tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine.

What is the SMILES notation for tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine?

The canonical SMILES for tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine is CC(Oc1cc(-c2cn(C)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cn(C3CCNCC3)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cn(CC(=O)OC(C)(C)C)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cn(CCN3CCOCC3)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl.Cc1cn(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cn1.

What is the InChIKey of tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine?

The InChIKey is BQZCPYUSLDGFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2FN5O2.C22H23Cl2FN4O3.C21H22Cl2FN5O.2C17H15Cl2FN4O/c1-14(20-16(23)2-3-17(25)21(20)24)32-19-10-15(11-27-22(19)26)18-12-30(13-28-18)5-4-29-6-8-31-9-7-29;1-12(19-14(23)5-6-15(25)20(19)24)31-17-7-13(8-27-21(17)26)16-9-29(11-28-16)10-18(30)32-22(2,3)4;1-12(19-15(22)2-3-16(24)20(19)23)30-18-8-13(9-27-21(18)25)17-10-29(11-28-17)14-4-6-26-7-5-14;1-9(15-11(18)3-4-12(20)16(15)19)25-14-5-10(6-22-17(14)21)13-7-24(2)8-23-13;1-9-7-24(8-23-9)11-5-14(17(21)22-6-11)25-10(2)15-12(18)3-4-13(20)16(15)19/h2-3,10-14H,4-9H2,1H3,(H2,26,27);5-9,11-12H,10H2,1-4H3,(H2,26,27);2-3,8-12,14,26H,4-7H2,1H3,(H2,25,27);3-9H,1-2H3,(H2,21,22);3-8,10H,1-2H3,(H2,21,22).

What are the key properties of tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine?

tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine has a molecular weight of 2174.55 g/mol, XLogP of 24.33, 26 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]imidazol-1-yl]acetate;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methylimidazol-1-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylimidazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 157434886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).