5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine

C112H95ClF6N18O15 — CID 158573484

IUPAC5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCCC(C)Oc1cccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCCO3)ccc1O.COc1ccnc2nc(-c3c(F)cc(OCCF)cc3F)c(Nc3ccc4c(c3)OCCO4)n12.Cc1ccc2nc(-c3cccc(F)n3)c(Nc3ccc4c(c3)OCCO4)n2c1.Fc1cccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C25H23ClFN3O3.C23H19F3N4O4.C23H21N3O4.C21H17FN4O2.C20H15FN4O2/c1-3-15(2)33-22-9-5-8-21-29-24(23-17(26)6-4-7-18(23)27)25(30(21)22)28-16-10-11-19-20(14-16)32-13-12-31-19;1-31-19-4-6-27-23-29-21(20-15(25)11-14(12-16(20)26)32-7-5-24)22(30(19)23)28-13-2-3-17-18(10-13)34-9-8-33-17;1-14-7-8-26-21(11-14)25-22(15-3-5-17(27)19(12-15)28-2)23(26)24-16-4-6-18-20(13-16)30-10-9-29-18;1-13-5-8-19-25-20(15-3-2-4-18(22)24-15)21(26(19)12-13)23-14-6-7-16-17(11-14)28-10-9-27-16;21-17-5-3-4-14(23-17)19-20(25-9-2-1-6-18(25)24-19)22-13-7-8-15-16(12-13)27-11-10-26-15/h4-11,14-15,28H,3,12-13H2,1-2H3;2-4,6,10-12,28H,5,7-9H2,1H3;3-8,11-13,24,27H,9-10H2,1-2H3;2-8,11-12,23H,9-10H2,1H3;1-9,12,22H,10-11H2
InChIKeyHSJGWVDNLUBBHW-UHFFFAOYSA-N
MW2082.54 g/mol
LogP23.98
Rot. Bonds23

About 5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine

5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 158573484) has the molecular formula C112H95ClF6N18O15 and a molecular weight of 2082.54 g/mol. Its IUPAC name is 5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID158573484
Molecular FormulaC112H95ClF6N18O15
Molecular Weight2082.54 g/mol
Exact Mass2080.68
IUPAC Name5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCCC(C)Oc1cccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCCO3)ccc1O.COc1ccnc2nc(-c3c(F)cc(OCCF)cc3F)c(Nc3ccc4c(c3)OCCO4)n12.Cc1ccc2nc(-c3cccc(F)n3)c(Nc3ccc4c(c3)OCCO4)n2c1.Fc1cccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C25H23ClFN3O3.C23H19F3N4O4.C23H21N3O4.C21H17FN4O2.C20H15FN4O2/c1-3-15(2)33-22-9-5-8-21-29-24(23-17(26)6-4-7-18(23)27)25(30(21)22)28-16-10-11-19-20(14-16)32-13-12-31-19;1-31-19-4-6-27-23-29-21(20-15(25)11-14(12-16(20)26)32-7-5-24)22(30(19)23)28-13-2-3-17-18(10-13)34-9-8-33-17;1-14-7-8-26-21(11-14)25-22(15-3-5-17(27)19(12-15)28-2)23(26)24-16-4-6-18-20(13-16)30-10-9-29-18;1-13-5-8-19-25-20(15-3-2-4-18(22)24-15)21(26(19)12-13)23-14-6-7-16-17(11-14)28-10-9-27-16;21-17-5-3-4-14(23-17)19-20(25-9-2-1-6-18(25)24-19)22-13-7-8-15-16(12-13)27-11-10-26-15/h4-11,14-15,28H,3,12-13H2,1-2H3;2-4,6,10-12,28H,5,7-9H2,1H3;3-8,11-13,24,27H,9-10H2,1-2H3;2-8,11-12,23H,9-10H2,1H3;1-9,12,22H,10-11H2
InChIKeyHSJGWVDNLUBBHW-UHFFFAOYSA-N
XLogP23.98
TPSA334.77 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms152
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002082.54
LogP ≤ 523.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_Db(5)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine (CID 158573484) is 5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine is CCC(C)Oc1cccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCCO3)ccc1O.COc1ccnc2nc(-c3c(F)cc(OCCF)cc3F)c(Nc3ccc4c(c3)OCCO4)n12.Cc1ccc2nc(-c3cccc(F)n3)c(Nc3ccc4c(c3)OCCO4)n2c1.Fc1cccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is HSJGWVDNLUBBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O3.C23H19F3N4O4.C23H21N3O4.C21H17FN4O2.C20H15FN4O2/c1-3-15(2)33-22-9-5-8-21-29-24(23-17(26)6-4-7-18(23)27)25(30(21)22)28-16-10-11-19-20(14-16)32-13-12-31-19;1-31-19-4-6-27-23-29-21(20-15(25)11-14(12-16(20)26)32-7-5-24)22(30(19)23)28-13-2-3-17-18(10-13)34-9-8-33-17;1-14-7-8-26-21(11-14)25-22(15-3-5-17(27)19(12-15)28-2)23(26)24-16-4-6-18-20(13-16)30-10-9-29-18;1-13-5-8-19-25-20(15-3-2-4-18(22)24-15)21(26(19)12-13)23-14-6-7-16-17(11-14)28-10-9-27-16;21-17-5-3-4-14(23-17)19-20(25-9-2-1-6-18(25)24-19)22-13-7-8-15-16(12-13)27-11-10-26-15/h4-11,14-15,28H,3,12-13H2,1-2H3;2-4,6,10-12,28H,5,7-9H2,1H3;3-8,11-13,24,27H,9-10H2,1-2H3;2-8,11-12,23H,9-10H2,1H3;1-9,12,22H,10-11H2.
What are the key properties of 5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 2082.54 g/mol, XLogP of 23.98, 23 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yloxy-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(2-fluoroethoxy)phenyl]-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)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 158573484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).