1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine

C85H68ClF3N16O13 — CID 157417639

About 1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine

1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 157417639) has the molecular formula C85H68ClF3N16O13 and a molecular weight of 1614.02 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

• Compound Name: 1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine
• PubChem CID: 157417639
• Molecular Formula: C85H68ClF3N16O13
• Molecular Weight: 1614.02 g/mol
• Exact Mass: 1612.48
• IUPAC Name: 1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine
• SMILES: COc1cc(O)ccc1-c1nc2ncccn2c1Nc1ccc2c(c1)OCCO2.COc1cccc(F)c1-c1nc2ncccn2c1Nc1ccc2c(c1)OCCO2.COc1cccc2nc(-c3c(F)cccc3Cl)c(NC(=O)Nc3ccc4c(c3)OCCO4)n12.Fc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)cn1
• InChI: InChI=1S/C23H18ClFN4O4.C21H17FN4O3.C21H18N4O4.C20H15FN4O2/c1-31-19-7-3-6-18-27-21(20-14(24)4-2-5-15(20)25)22(29(18)19)28-23(30)26-13-8-9-16-17(12-13)33-11-10-32-16;1-27-16-5-2-4-14(22)18(16)19-20(26-9-3-8-23-21(26)25-19)24-13-6-7-15-17(12-13)29-11-10-28-15;1-27-17-12-14(26)4-5-15(17)19-20(25-8-2-7-22-21(25)24-19)23-13-3-6-16-18(11-13)29-10-9-28-16;21-17-7-4-13(12-22-17)19-20(25-8-2-1-3-18(25)24-19)23-14-5-6-15-16(11-14)27-10-9-26-15/h2-9,12H,10-11H2,1H3,(H2,26,28,30);2-9,12,24H,10-11H2,1H3;2-8,11-12,23,26H,9-10H2,1H3;1-8,11-12,23H,9-10H2
• InChIKey: BPAQMVCSYCGMNF-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 306.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1614.02
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine?

The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine (CID 157417639) is 1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine.

What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine?

The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine is COc1cc(O)ccc1-c1nc2ncccn2c1Nc1ccc2c(c1)OCCO2.COc1cccc(F)c1-c1nc2ncccn2c1Nc1ccc2c(c1)OCCO2.COc1cccc2nc(-c3c(F)cccc3Cl)c(NC(=O)Nc3ccc4c(c3)OCCO4)n12.Fc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)cn1.

What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine?

The InChIKey is BPAQMVCSYCGMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O4.C21H17FN4O3.C21H18N4O4.C20H15FN4O2/c1-31-19-7-3-6-18-27-21(20-14(24)4-2-5-15(20)25)22(29(18)19)28-23(30)26-13-8-9-16-17(12-13)33-11-10-32-16;1-27-16-5-2-4-14(22)18(16)19-20(26-9-3-8-23-21(26)25-19)24-13-6-7-15-17(12-13)29-11-10-28-15;1-27-17-12-14(26)4-5-15(17)19-20(25-8-2-7-22-21(25)24-19)23-13-3-6-16-18(11-13)29-10-9-28-16;21-17-7-4-13(12-22-17)19-20(25-8-2-1-3-18(25)24-19)23-14-5-6-15-16(11-14)27-10-9-26-15/h2-9,12H,10-11H2,1H3,(H2,26,28,30);2-9,12,24H,10-11H2,1H3;2-8,11-12,23,26H,9-10H2,1H3;1-8,11-12,23H,9-10H2.

What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine?

1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 1614.02 g/mol, XLogP of 16.95, 15 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-chloro-6-fluorophenyl)-5-methoxyimidazo[1,2-a]pyridin-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 157417639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).