4-[6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-amine

C103H84ClF2N21O14 — CID 158536713

About 4-[6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-amine

4-[6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 158536713) has the molecular formula C103H84ClF2N21O14 and a molecular weight of 1913.39 g/mol. Its IUPAC name is 4-[6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

• Compound Name: 4-[6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-amine
• PubChem CID: 158536713
• Molecular Formula: C103H84ClF2N21O14
• Molecular Weight: 1913.39 g/mol
• Exact Mass: 1911.62
• IUPAC Name: 4-[6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-amine
• SMILES: COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O.COc1cc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)ccc1O.Cc1cccc(C)c1-c1nc2ncccn2c1Nc1ccc2c(c1)OCCO2.Fc1cccnc1-c1nc2cnccn2c1Nc1ccc2c(c1)OCCO2.Fc1ncccc1-c1nc2cnccn2c1Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C22H18ClN3O4.C22H20N4O2.C21H18N4O4.2C19H14FN5O2/c1-28-18-10-13(2-5-16(18)27)21-22(26-12-14(23)3-7-20(26)25-21)24-15-4-6-17-19(11-15)30-9-8-29-17;1-14-5-3-6-15(2)19(14)20-21(26-10-4-9-23-22(26)25-20)24-16-7-8-17-18(13-16)28-12-11-27-17;1-27-17-10-13(2-4-15(17)26)20-21(25-7-6-22-12-19(25)24-20)23-14-3-5-16-18(11-14)29-9-8-28-16;20-13-2-1-5-22-17(13)18-19(25-7-6-21-11-16(25)24-18)23-12-3-4-14-15(10-12)27-9-8-26-14;20-18-13(2-1-5-22-18)17-19(25-7-6-21-11-16(25)24-17)23-12-3-4-14-15(10-12)27-9-8-26-14/h2-7,10-12,24,27H,8-9H2,1H3;3-10,13,24H,11-12H2,1-2H3;2-7,10-12,23,26H,8-9H2,1H3;2*1-7,10-11,23H,8-9H2
• InChIKey: HOALGRYDNIITCI-UHFFFAOYSA-N
• XLogP: 19.93
• TPSA: 375.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1913.39
LogP ≤ 5	19.93
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-amine (CID 158536713) is 4-[6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-amine.

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

The canonical SMILES for 4-[6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-amine is COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O.COc1cc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)ccc1O.Cc1cccc(C)c1-c1nc2ncccn2c1Nc1ccc2c(c1)OCCO2.Fc1cccnc1-c1nc2cnccn2c1Nc1ccc2c(c1)OCCO2.Fc1ncccc1-c1nc2cnccn2c1Nc1ccc2c(c1)OCCO2.

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

The InChIKey is HOALGRYDNIITCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O4.C22H20N4O2.C21H18N4O4.2C19H14FN5O2/c1-28-18-10-13(2-5-16(18)27)21-22(26-12-14(23)3-7-20(26)25-21)24-15-4-6-17-19(11-15)30-9-8-29-17;1-14-5-3-6-15(2)19(14)20-21(26-10-4-9-23-22(26)25-20)24-16-7-8-17-18(13-16)28-12-11-27-17;1-27-17-10-13(2-4-15(17)26)20-21(25-7-6-22-12-19(25)24-20)23-14-3-5-16-18(11-14)29-9-8-28-16;20-13-2-1-5-22-17(13)18-19(25-7-6-21-11-16(25)24-18)23-12-3-4-14-15(10-12)27-9-8-26-14;20-18-13(2-1-5-22-18)17-19(25-7-6-21-11-16(25)24-17)23-12-3-4-14-15(10-12)27-9-8-26-14/h2-7,10-12,24,27H,8-9H2,1H3;3-10,13,24H,11-12H2,1-2H3;2-7,10-12,23,26H,8-9H2,1H3;2*1-7,10-11,23H,8-9H2.

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

4-[6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 1913.39 g/mol, XLogP of 19.93, 17 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 158536713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).