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

C107H90ClF2N19O14 — CID 160530456

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCOc1cc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O.COc1cc(O)ccc1-c1nc2ccccn2c1Nc1ccc2c(c1)OCCO2.Cc1cccc(C)c1-c1nc2cnccn2c1Nc1ccc2c(c1)OCCO2.Cc1cn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc2cn1.Fc1cc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)ccn1
InChIInChI=1S/C23H21N3O4.C22H20N4O2.C22H19N3O4.C21H16ClFN4O2.C19H14FN5O2/c1-14-3-8-21-25-22(15-4-6-17(27)19(11-15)28-2)23(26(21)13-14)24-16-5-7-18-20(12-16)30-10-9-29-18;1-14-4-3-5-15(2)20(14)21-22(26-9-8-23-13-19(26)25-21)24-16-6-7-17-18(12-16)28-11-10-27-17;1-27-18-13-15(26)6-7-16(18)21-22(25-9-3-2-4-20(25)24-21)23-14-5-8-17-19(12-14)29-11-10-28-17;1-12-11-27-18(10-24-12)26-20(19-14(22)3-2-4-15(19)23)21(27)25-13-5-6-16-17(9-13)29-8-7-28-16;20-16-9-12(3-4-22-16)18-19(25-6-5-21-11-17(25)24-18)23-13-1-2-14-15(10-13)27-8-7-26-14/h3-8,11-13,24,27H,9-10H2,1-2H3;3-9,12-13,24H,10-11H2,1-2H3;2-9,12-13,23,26H,10-11H2,1H3;2-6,9-11,25H,7-8H2,1H3;1-6,9-11,23H,7-8H2
InChIKeyQVLSJWBIEPGRLK-UHFFFAOYSA-N
MW1939.46 g/mol
LogP21.75
Rot. Bonds17

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

2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 160530456) has the molecular formula C107H90ClF2N19O14 and a molecular weight of 1939.46 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID160530456
Molecular FormulaC107H90ClF2N19O14
Molecular Weight1939.46 g/mol
Exact Mass1937.66
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCOc1cc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O.COc1cc(O)ccc1-c1nc2ccccn2c1Nc1ccc2c(c1)OCCO2.Cc1cccc(C)c1-c1nc2cnccn2c1Nc1ccc2c(c1)OCCO2.Cc1cn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc2cn1.Fc1cc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)ccn1
InChIInChI=1S/C23H21N3O4.C22H20N4O2.C22H19N3O4.C21H16ClFN4O2.C19H14FN5O2/c1-14-3-8-21-25-22(15-4-6-17(27)19(11-15)28-2)23(26(21)13-14)24-16-5-7-18-20(12-16)30-10-9-29-18;1-14-4-3-5-15(2)20(14)21-22(26-9-8-23-13-19(26)25-21)24-16-6-7-17-18(12-16)28-11-10-27-17;1-27-18-13-15(26)6-7-16(18)21-22(25-9-3-2-4-20(25)24-21)23-14-5-8-17-19(12-14)29-11-10-28-17;1-12-11-27-18(10-24-12)26-20(19-14(22)3-2-4-15(19)23)21(27)25-13-5-6-16-17(9-13)29-8-7-28-16;20-16-9-12(3-4-22-16)18-19(25-6-5-21-11-17(25)24-18)23-13-1-2-14-15(10-13)27-8-7-26-14/h3-8,11-13,24,27H,9-10H2,1-2H3;3-9,12-13,24H,10-11H2,1-2H3;2-9,12-13,23,26H,10-11H2,1H3;2-6,9-11,25H,7-8H2,1H3;1-6,9-11,23H,7-8H2
InChIKeyQVLSJWBIEPGRLK-UHFFFAOYSA-N
XLogP21.75
TPSA349.43 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds17
Heavy Atoms143
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001939.46
LogP ≤ 521.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-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)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-3-amine (CID 160530456) is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-3-amine is COc1cc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O.COc1cc(O)ccc1-c1nc2ccccn2c1Nc1ccc2c(c1)OCCO2.Cc1cccc(C)c1-c1nc2cnccn2c1Nc1ccc2c(c1)OCCO2.Cc1cn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc2cn1.Fc1cc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)ccn1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is QVLSJWBIEPGRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4.C22H20N4O2.C22H19N3O4.C21H16ClFN4O2.C19H14FN5O2/c1-14-3-8-21-25-22(15-4-6-17(27)19(11-15)28-2)23(26(21)13-14)24-16-5-7-18-20(12-16)30-10-9-29-18;1-14-4-3-5-15(2)20(14)21-22(26-9-8-23-13-19(26)25-21)24-16-6-7-17-18(12-16)28-11-10-27-17;1-27-18-13-15(26)6-7-16(18)21-22(25-9-3-2-4-20(25)24-21)23-14-5-8-17-19(12-14)29-11-10-28-17;1-12-11-27-18(10-24-12)26-20(19-14(22)3-2-4-15(19)23)21(27)25-13-5-6-16-17(9-13)29-8-7-28-16;20-16-9-12(3-4-22-16)18-19(25-6-5-21-11-17(25)24-18)23-13-1-2-14-15(10-13)27-8-7-26-14/h3-8,11-13,24,27H,9-10H2,1-2H3;3-9,12-13,24H,10-11H2,1-2H3;2-9,12-13,23,26H,10-11H2,1H3;2-6,9-11,25H,7-8H2,1H3;1-6,9-11,23H,7-8H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-3-amine?
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 1939.46 g/mol, XLogP of 21.75, 17 rotatable bonds, 7 hydrogen bond donors, and 33 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)-6-methylimidazo[1,2-a]pyrazin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 160530456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).