2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine

C111H97ClF2N18O17 — CID 159228668

About 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine

2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 159228668) has the molecular formula C111H97ClF2N18O17 and a molecular weight of 2028.55 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine
• PubChem CID: 159228668
• Molecular Formula: C111H97ClF2N18O17
• Molecular Weight: 2028.55 g/mol
• Exact Mass: 2026.69
• IUPAC Name: 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine
• SMILES: COc1cc(O)ccc1-c1nc2c(C)cccn2c1Nc1ccc2c(c1)OCCO2.COc1cc(O)ccc1-c1nc2cc(C)ccn2c1Nc1ccc2c(c1)OCCO2.COc1ccnc2nc(-c3c(C)cc(O)cc3C)c(Nc3ccc4c(c3)OCCO4)n12.COc1ccnc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ncccc3F)nc2c1
• InChI: InChI=1S/C23H22N4O4.2C23H21N3O4.C21H16ClFN4O3.C21H17FN4O2/c1-13-10-16(28)11-14(2)20(13)21-22(27-19(29-3)6-7-24-23(27)26-21)25-15-4-5-17-18(12-15)31-9-8-30-17;1-14-7-8-26-21(11-14)25-22(17-5-4-16(27)13-19(17)28-2)23(26)24-15-3-6-18-20(12-15)30-10-9-29-18;1-14-4-3-9-26-22(14)25-21(17-7-6-16(27)13-19(17)28-2)23(26)24-15-5-8-18-20(12-15)30-11-10-29-18;1-28-17-7-8-24-21-26-19(18-13(22)3-2-4-14(18)23)20(27(17)21)25-12-5-6-15-16(11-12)30-10-9-29-15;1-13-6-8-26-18(11-13)25-20(19-15(22)3-2-7-23-19)21(26)24-14-4-5-16-17(12-14)28-10-9-27-16/h4-7,10-12,25,28H,8-9H2,1-3H3;3-8,11-13,24,27H,9-10H2,1-2H3;3-9,12-13,24,27H,10-11H2,1-2H3;2-8,11,25H,9-10H2,1H3;2-8,11-12,24H,9-10H2,1H3
• InChIKey: KSPQTGUBBBIQBH-UHFFFAOYSA-N
• XLogP: 22.39
• TPSA: 375.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 19
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2028.55
LogP ≤ 5	22.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_65_Db(5)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine?

The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine (CID 159228668) is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine.

What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine?

The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine is COc1cc(O)ccc1-c1nc2c(C)cccn2c1Nc1ccc2c(c1)OCCO2.COc1cc(O)ccc1-c1nc2cc(C)ccn2c1Nc1ccc2c(c1)OCCO2.COc1ccnc2nc(-c3c(C)cc(O)cc3C)c(Nc3ccc4c(c3)OCCO4)n12.COc1ccnc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ncccc3F)nc2c1.

What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine?

The InChIKey is KSPQTGUBBBIQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4.2C23H21N3O4.C21H16ClFN4O3.C21H17FN4O2/c1-13-10-16(28)11-14(2)20(13)21-22(27-19(29-3)6-7-24-23(27)26-21)25-15-4-5-17-18(12-15)31-9-8-30-17;1-14-7-8-26-21(11-14)25-22(17-5-4-16(27)13-19(17)28-2)23(26)24-15-3-6-18-20(12-15)30-10-9-29-18;1-14-4-3-9-26-22(14)25-21(17-7-6-16(27)13-19(17)28-2)23(26)24-15-5-8-18-20(12-15)30-11-10-29-18;1-28-17-7-8-24-21-26-19(18-13(22)3-2-4-14(18)23)20(27(17)21)25-12-5-6-15-16(11-12)30-10-9-29-15;1-13-6-8-26-18(11-13)25-20(19-15(22)3-2-7-23-19)21(26)24-14-4-5-16-17(12-14)28-10-9-27-16/h4-7,10-12,25,28H,8-9H2,1-3H3;3-8,11-13,24,27H,9-10H2,1-2H3;3-9,12-13,24,27H,10-11H2,1-2H3;2-8,11,25H,9-10H2,1H3;2-8,11-12,24H,9-10H2,1H3.

What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine?

2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 2028.55 g/mol, XLogP of 22.39, 19 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 159228668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).