2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine

C106H82Cl2F6N18O10 — CID 161426928

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc2nc(-c3ncccc3F)c(Nc3ccc4c(c3)OCCO4)n12.Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc2c1.Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(F)nc3)nc2c1.Cc1cncc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.Fc1cccc(F)c1-c1nc2ccccn2c1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H17ClFN3O2.C21H16ClFN4O2.C21H15F2N3O2.2C21H17FN4O2/c1-13-7-8-27-19(11-13)26-21(20-15(23)3-2-4-16(20)24)22(27)25-14-5-6-17-18(12-14)29-10-9-28-17;1-12-10-24-11-18-26-20(19-14(22)3-2-4-15(19)23)21(27(12)18)25-13-5-6-16-17(9-13)29-8-7-28-16;22-14-4-3-5-15(23)19(14)20-21(26-9-2-1-6-18(26)25-20)24-13-7-8-16-17(12-13)28-11-10-27-16;1-13-6-7-26-19(10-13)25-20(14-2-5-18(22)23-12-14)21(26)24-15-3-4-16-17(11-15)28-9-8-27-16;1-13-4-2-6-18-25-20(19-15(22)5-3-9-23-19)21(26(13)18)24-14-7-8-16-17(12-14)28-11-10-27-16/h2-8,11-12,25H,9-10H2,1H3;2-6,9-11,25H,7-8H2,1H3;1-9,12,24H,10-11H2;2-7,10-12,24H,8-9H2,1H3;2-9,12,24H,10-11H2,1H3
InChIKeyVXMDCJIXTIYDRT-UHFFFAOYSA-N
MW1952.83 g/mol
LogP24.14
Rot. Bonds15

About 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine

2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 161426928) has the molecular formula C106H82Cl2F6N18O10 and a molecular weight of 1952.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID161426928
Molecular FormulaC106H82Cl2F6N18O10
Molecular Weight1952.83 g/mol
Exact Mass1950.57
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc2nc(-c3ncccc3F)c(Nc3ccc4c(c3)OCCO4)n12.Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc2c1.Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(F)nc3)nc2c1.Cc1cncc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.Fc1cccc(F)c1-c1nc2ccccn2c1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H17ClFN3O2.C21H16ClFN4O2.C21H15F2N3O2.2C21H17FN4O2/c1-13-7-8-27-19(11-13)26-21(20-15(23)3-2-4-16(20)24)22(27)25-14-5-6-17-18(12-14)29-10-9-28-17;1-12-10-24-11-18-26-20(19-14(22)3-2-4-15(19)23)21(27(12)18)25-13-5-6-16-17(9-13)29-8-7-28-16;22-14-4-3-5-15(23)19(14)20-21(26-9-2-1-6-18(26)25-20)24-13-7-8-16-17(12-13)28-11-10-27-16;1-13-6-7-26-19(10-13)25-20(14-2-5-18(22)23-12-14)21(26)24-15-3-4-16-17(11-15)28-9-8-27-16;1-13-4-2-6-18-25-20(19-15(22)5-3-9-23-19)21(26(13)18)24-14-7-8-16-17(12-14)28-11-10-27-16/h2-8,11-12,25H,9-10H2,1H3;2-6,9-11,25H,7-8H2,1H3;1-9,12,24H,10-11H2;2-7,10-12,24H,8-9H2,1H3;2-9,12,24H,10-11H2,1H3
InChIKeyVXMDCJIXTIYDRT-UHFFFAOYSA-N
XLogP24.14
TPSA277.62 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001952.83
LogP ≤ 524.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-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-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine (CID 161426928) is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-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-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-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-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine is Cc1cccc2nc(-c3ncccc3F)c(Nc3ccc4c(c3)OCCO4)n12.Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc2c1.Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(F)nc3)nc2c1.Cc1cncc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.Fc1cccc(F)c1-c1nc2ccccn2c1Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is VXMDCJIXTIYDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O2.C21H16ClFN4O2.C21H15F2N3O2.2C21H17FN4O2/c1-13-7-8-27-19(11-13)26-21(20-15(23)3-2-4-16(20)24)22(27)25-14-5-6-17-18(12-14)29-10-9-28-17;1-12-10-24-11-18-26-20(19-14(22)3-2-4-15(19)23)21(27(12)18)25-13-5-6-16-17(9-13)29-8-7-28-16;22-14-4-3-5-15(23)19(14)20-21(26-9-2-1-6-18(26)25-20)24-13-7-8-16-17(12-13)28-11-10-27-16;1-13-6-7-26-19(10-13)25-20(14-2-5-18(22)23-12-14)21(26)24-15-3-4-16-17(11-15)28-9-8-27-16;1-13-4-2-6-18-25-20(19-15(22)5-3-9-23-19)21(26(13)18)24-14-7-8-16-17(12-14)28-11-10-27-16/h2-8,11-12,25H,9-10H2,1H3;2-6,9-11,25H,7-8H2,1H3;1-9,12,24H,10-11H2;2-7,10-12,24H,8-9H2,1H3;2-9,12,24H,10-11H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine?
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 1952.83 g/mol, XLogP of 24.14, 15 rotatable bonds, 5 hydrogen bond donors, and 28 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-methylimidazo[1,2-a]pyrazin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine;2-(2,6-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 161426928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).