3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine

C111H91Cl6F3N18O17 — CID 159223127

IUPAC3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine
SMILESCOc1cccc2nc(-c3c(C)cc(OCCF)cc3C)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(Cl)cc(O)cc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(Cl)cncc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(Cl)ncnc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)cccc3F)c(Nc3ccc4c(c3)OCCO4)n12
InChIInChI=1S/C26H26FN3O4.C22H17Cl2N3O4.C22H17F2N3O3.C21H16Cl2N4O3.C20H15Cl2N5O3/c1-16-13-19(32-10-9-27)14-17(2)24(16)25-26(30-22(29-25)5-4-6-23(30)31-3)28-18-7-8-20-21(15-18)34-12-11-33-20;1-29-19-4-2-3-18-26-21(20-14(23)10-13(28)11-15(20)24)22(27(18)19)25-12-5-6-16-17(9-12)31-8-7-30-16;1-28-19-7-3-6-18-26-21(20-14(23)4-2-5-15(20)24)22(27(18)19)25-13-8-9-16-17(12-13)30-11-10-29-16;1-28-18-4-2-3-17-26-20(19-13(22)10-24-11-14(19)23)21(27(17)18)25-12-5-6-15-16(9-12)30-8-7-29-15;1-28-15-4-2-3-14-26-17(16-18(21)23-10-24-19(16)22)20(27(14)15)25-11-5-6-12-13(9-11)30-8-7-29-12/h4-8,13-15,28H,9-12H2,1-3H3;2-6,9-11,25,28H,7-8H2,1H3;2-9,12,25H,10-11H2,1H3;2-6,9-11,25H,7-8H2,1H3;2-6,9-10,25H,7-8H2,1H3
InChIKeyKRYIYIOZBVFJJN-UHFFFAOYSA-N
MW2218.77 g/mol
LogP25.68
Rot. Bonds23

About 3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine

3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine (PubChem CID 159223127) has the molecular formula C111H91Cl6F3N18O17 and a molecular weight of 2218.77 g/mol. Its IUPAC name is 3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine
PubChem CID159223127
Molecular FormulaC111H91Cl6F3N18O17
Molecular Weight2218.77 g/mol
Exact Mass2214.49
IUPAC Name3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine
SMILESCOc1cccc2nc(-c3c(C)cc(OCCF)cc3C)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(Cl)cc(O)cc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(Cl)cncc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(Cl)ncnc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)cccc3F)c(Nc3ccc4c(c3)OCCO4)n12
InChIInChI=1S/C26H26FN3O4.C22H17Cl2N3O4.C22H17F2N3O3.C21H16Cl2N4O3.C20H15Cl2N5O3/c1-16-13-19(32-10-9-27)14-17(2)24(16)25-26(30-22(29-25)5-4-6-23(30)31-3)28-18-7-8-20-21(15-18)34-12-11-33-20;1-29-19-4-2-3-18-26-21(20-14(23)10-13(28)11-15(20)24)22(27(18)19)25-12-5-6-16-17(9-12)31-8-7-30-16;1-28-19-7-3-6-18-26-21(20-14(23)4-2-5-15(20)24)22(27(18)19)25-13-8-9-16-17(12-13)30-11-10-29-16;1-28-18-4-2-3-17-26-20(19-13(22)10-24-11-14(19)23)21(27(17)18)25-12-5-6-15-16(9-12)30-8-7-29-15;1-28-15-4-2-3-14-26-17(16-18(21)23-10-24-19(16)22)20(27(14)15)25-11-5-6-12-13(9-11)30-8-7-29-12/h4-8,13-15,28H,9-12H2,1-3H3;2-6,9-11,25,28H,7-8H2,1H3;2-9,12,25H,10-11H2,1H3;2-6,9-11,25H,7-8H2,1H3;2-6,9-10,25H,7-8H2,1H3
InChIKeyKRYIYIOZBVFJJN-UHFFFAOYSA-N
XLogP25.68
TPSA353.23 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms155
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002218.77
LogP ≤ 525.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine (CID 159223127) is 3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine is COc1cccc2nc(-c3c(C)cc(OCCF)cc3C)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(Cl)cc(O)cc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(Cl)cncc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(Cl)ncnc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)cccc3F)c(Nc3ccc4c(c3)OCCO4)n12.
What is the InChIKey of 3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine?
The InChIKey is KRYIYIOZBVFJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4.C22H17Cl2N3O4.C22H17F2N3O3.C21H16Cl2N4O3.C20H15Cl2N5O3/c1-16-13-19(32-10-9-27)14-17(2)24(16)25-26(30-22(29-25)5-4-6-23(30)31-3)28-18-7-8-20-21(15-18)34-12-11-33-20;1-29-19-4-2-3-18-26-21(20-14(23)10-13(28)11-15(20)24)22(27(18)19)25-12-5-6-16-17(9-12)31-8-7-30-16;1-28-19-7-3-6-18-26-21(20-14(23)4-2-5-15(20)24)22(27(18)19)25-13-8-9-16-17(12-13)30-11-10-29-16;1-28-18-4-2-3-17-26-20(19-13(22)10-24-11-14(19)23)21(27(17)18)25-12-5-6-15-16(9-12)30-8-7-29-15;1-28-15-4-2-3-14-26-17(16-18(21)23-10-24-19(16)22)20(27(14)15)25-11-5-6-12-13(9-11)30-8-7-29-12/h4-8,13-15,28H,9-12H2,1-3H3;2-6,9-11,25,28H,7-8H2,1H3;2-9,12,25H,10-11H2,1H3;2-6,9-11,25H,7-8H2,1H3;2-6,9-10,25H,7-8H2,1H3.
What are the key properties of 3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine?
3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine has a molecular weight of 2218.77 g/mol, XLogP of 25.68, 23 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]phenol;2-(3,5-dichloro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(4,6-dichloropyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-fluoroethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 159223127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).