2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol

C66H67ClN16O7S — CID 158894210

IUPAC2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(-c2ccco2)cn2ccnc12.CN(C)C(=O)COc1cccc(Nc2nc(-c3ccccc3Cl)cn3ccnc23)c1.Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4cccc(C(=O)NCCN(C)C)c4)cn4ccnc34)cc2)cc1
InChIInChI=1S/C30H31N7O3S.C22H20ClN5O2.C14H16N4O2/c1-21-7-13-26(14-8-21)41(39,40)35-25-11-9-24(10-12-25)33-28-29-31-16-18-37(29)20-27(34-28)22-5-4-6-23(19-22)30(38)32-15-17-36(2)3;1-27(2)20(29)14-30-16-7-5-6-15(12-16)25-21-22-24-10-11-28(22)13-19(26-21)17-8-3-4-9-18(17)23;1-2-10(9-19)16-13-14-15-5-6-18(14)8-11(17-13)12-4-3-7-20-12/h4-14,16,18-20,35H,15,17H2,1-3H3,(H,32,38)(H,33,34);3-13H,14H2,1-2H3,(H,25,26);3-8,10,19H,2,9H2,1H3,(H,16,17)
InChIKeyJEPYRODMXRMMQM-UHFFFAOYSA-N
MW1263.89 g/mol
LogP10.97
Rot. Bonds21

About 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol

2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol (PubChem CID 158894210) has the molecular formula C66H67ClN16O7S and a molecular weight of 1263.89 g/mol. Its IUPAC name is 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol
PubChem CID158894210
Molecular FormulaC66H67ClN16O7S
Molecular Weight1263.89 g/mol
Exact Mass1262.48
IUPAC Name2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(-c2ccco2)cn2ccnc12.CN(C)C(=O)COc1cccc(Nc2nc(-c3ccccc3Cl)cn3ccnc23)c1.Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4cccc(C(=O)NCCN(C)C)c4)cn4ccnc34)cc2)cc1
InChIInChI=1S/C30H31N7O3S.C22H20ClN5O2.C14H16N4O2/c1-21-7-13-26(14-8-21)41(39,40)35-25-11-9-24(10-12-25)33-28-29-31-16-18-37(29)20-27(34-28)22-5-4-6-23(19-22)30(38)32-15-17-36(2)3;1-27(2)20(29)14-30-16-7-5-6-15(12-16)25-21-22-24-10-11-28(22)13-19(26-21)17-8-3-4-9-18(17)23;1-2-10(9-19)16-13-14-15-5-6-18(14)8-11(17-13)12-4-3-7-20-12/h4-14,16,18-20,35H,15,17H2,1-3H3,(H,32,38)(H,33,34);3-13H,14H2,1-2H3,(H,25,26);3-8,10,19H,2,9H2,1H3,(H,16,17)
InChIKeyJEPYRODMXRMMQM-UHFFFAOYSA-N
XLogP10.97
TPSA268.08 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001263.89
LogP ≤ 510.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol?
The IUPAC name of 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol (CID 158894210) is 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol?
The canonical SMILES for 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol is CCC(CO)Nc1nc(-c2ccco2)cn2ccnc12.CN(C)C(=O)COc1cccc(Nc2nc(-c3ccccc3Cl)cn3ccnc23)c1.Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4cccc(C(=O)NCCN(C)C)c4)cn4ccnc34)cc2)cc1.
What is the InChIKey of 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol?
The InChIKey is JEPYRODMXRMMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O3S.C22H20ClN5O2.C14H16N4O2/c1-21-7-13-26(14-8-21)41(39,40)35-25-11-9-24(10-12-25)33-28-29-31-16-18-37(29)20-27(34-28)22-5-4-6-23(19-22)30(38)32-15-17-36(2)3;1-27(2)20(29)14-30-16-7-5-6-15(12-16)25-21-22-24-10-11-28(22)13-19(26-21)17-8-3-4-9-18(17)23;1-2-10(9-19)16-13-14-15-5-6-18(14)8-11(17-13)12-4-3-7-20-12/h4-14,16,18-20,35H,15,17H2,1-3H3,(H,32,38)(H,33,34);3-13H,14H2,1-2H3,(H,25,26);3-8,10,19H,2,9H2,1H3,(H,16,17).
What are the key properties of 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol?
2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol has a molecular weight of 1263.89 g/mol, XLogP of 10.97, 21 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol is sourced from PubChem (CID 158894210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).