3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide

C107H59Cl3F12N28O26S3 — CID 160848963

IUPAC3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide
SMILESNc1nccnc1C(=O)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3.O=C(/C=C/c1ccccc1)Cc1nc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)co1.O=C(Cc1nc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cs1)c1ccc(Cl)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1coc(NC(=O)c2ccco2)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(-c2cccc(Cl)c2Cl)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C22H14F2N4O5.C20H11ClF2N4O4S.C18H8Cl2F2N4O3S.C17H9F2N5O6.C17H9F2N5O5S.C13H8F2N6O3/c23-22(24)32-17-9-14-15(10-18(17)33-22)27-21(26-14)28-20(30)16-11-31-19(25-16)8-13(29)7-6-12-4-2-1-3-5-12;21-10-3-1-9(2-4-10)14(28)7-17-24-13(8-32-17)18(29)27-19-25-11-5-15-16(6-12(11)26-19)31-20(22,23)30-15;19-8-3-1-2-7(14(8)20)16-23-11(6-30-16)15(27)26-17-24-9-4-12-13(5-10(9)25-17)29-18(21,22)28-12;18-17(19)29-11-4-7-8(5-12(11)30-17)21-15(20-7)23-13(25)9-6-28-16(22-9)24-14(26)10-2-1-3-27-10;18-17(19)28-11-4-7-8(5-12(11)29-17)21-15(20-7)23-13(25)9-6-30-16(22-9)24-14(26)10-2-1-3-27-10;14-13(15)23-7-3-5-6(4-8(7)24-13)20-12(19-5)21-11(22)9-10(16)18-2-1-17-9/h1-7,9-11H,8H2,(H2,26,27,28,30);1-6,8H,7H2,(H2,25,26,27,29);1-6H,(H2,24,25,26,27);2*1-6H,(H,22,24,26)(H2,20,21,23,25);1-4H,(H2,16,18)(H2,19,20,21,22)/b7-6+;;;;;
InChIKeySIZXVKZWCJCTDZ-HEANBJSFSA-N
MW2583.35 g/mol
LogP22.11
Rot. Bonds24

About 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide

3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide (PubChem CID 160848963) has the molecular formula C107H59Cl3F12N28O26S3 and a molecular weight of 2583.35 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide
PubChem CID160848963
Molecular FormulaC107H59Cl3F12N28O26S3
Molecular Weight2583.35 g/mol
Exact Mass2580.22
IUPAC Name3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide
SMILESNc1nccnc1C(=O)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3.O=C(/C=C/c1ccccc1)Cc1nc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)co1.O=C(Cc1nc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cs1)c1ccc(Cl)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1coc(NC(=O)c2ccco2)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(-c2cccc(Cl)c2Cl)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C22H14F2N4O5.C20H11ClF2N4O4S.C18H8Cl2F2N4O3S.C17H9F2N5O6.C17H9F2N5O5S.C13H8F2N6O3/c23-22(24)32-17-9-14-15(10-18(17)33-22)27-21(26-14)28-20(30)16-11-31-19(25-16)8-13(29)7-6-12-4-2-1-3-5-12;21-10-3-1-9(2-4-10)14(28)7-17-24-13(8-32-17)18(29)27-19-25-11-5-15-16(6-12(11)26-19)31-20(22,23)30-15;19-8-3-1-2-7(14(8)20)16-23-11(6-30-16)15(27)26-17-24-9-4-12-13(5-10(9)25-17)29-18(21,22)28-12;18-17(19)29-11-4-7-8(5-12(11)30-17)21-15(20-7)23-13(25)9-6-28-16(22-9)24-14(26)10-2-1-3-27-10;18-17(19)28-11-4-7-8(5-12(11)29-17)21-15(20-7)23-13(25)9-6-30-16(22-9)24-14(26)10-2-1-3-27-10;14-13(15)23-7-3-5-6(4-8(7)24-13)20-12(19-5)21-11(22)9-10(16)18-2-1-17-9/h1-7,9-11H,8H2,(H2,26,27,28,30);1-6,8H,7H2,(H2,25,26,27,29);1-6H,(H2,24,25,26,27);2*1-6H,(H,22,24,26)(H2,20,21,23,25);1-4H,(H2,16,18)(H2,19,20,21,22)/b7-6+;;;;;
InChIKeySIZXVKZWCJCTDZ-HEANBJSFSA-N
XLogP22.11
TPSA718.59 Ų
H-Bond Donors15
H-Bond Acceptors43
Rotatable Bonds24
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002583.35
LogP ≤ 522.11
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

4-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-methoxybenzamide;2-(3-chlorophenyl)-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)acetamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-(thiophene-3-carbonylamino)-1,2,4-thiadiazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(dimethylamino)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 157427512
4-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-methoxybenzamide;2-(3-chlorophenyl)-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)acetamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-(thiophene-3-carbonylamino)-1,2,4-thiadiazole-3-carboxamide;5-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-N,N-dimethylpyridin-3-amine;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 157624425
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide
CID 159053222
1-(3,4-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethylpyrazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(2,4-dimethoxypyrimidine-5-carbonyl)amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(2-methoxybenzoyl)amino]-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 160854680
3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide
CID 162008368

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide (CID 160848963) is 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide is Nc1nccnc1C(=O)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3.O=C(/C=C/c1ccccc1)Cc1nc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)co1.O=C(Cc1nc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cs1)c1ccc(Cl)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1coc(NC(=O)c2ccco2)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(-c2cccc(Cl)c2Cl)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(NC(=O)c2ccco2)n1.
What is the InChIKey of 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SIZXVKZWCJCTDZ-HEANBJSFSA-N. The full InChI is InChI=1S/C22H14F2N4O5.C20H11ClF2N4O4S.C18H8Cl2F2N4O3S.C17H9F2N5O6.C17H9F2N5O5S.C13H8F2N6O3/c23-22(24)32-17-9-14-15(10-18(17)33-22)27-21(26-14)28-20(30)16-11-31-19(25-16)8-13(29)7-6-12-4-2-1-3-5-12;21-10-3-1-9(2-4-10)14(28)7-17-24-13(8-32-17)18(29)27-19-25-11-5-15-16(6-12(11)26-19)31-20(22,23)30-15;19-8-3-1-2-7(14(8)20)16-23-11(6-30-16)15(27)26-17-24-9-4-12-13(5-10(9)25-17)29-18(21,22)28-12;18-17(19)29-11-4-7-8(5-12(11)30-17)21-15(20-7)23-13(25)9-6-28-16(22-9)24-14(26)10-2-1-3-27-10;18-17(19)28-11-4-7-8(5-12(11)29-17)21-15(20-7)23-13(25)9-6-30-16(22-9)24-14(26)10-2-1-3-27-10;14-13(15)23-7-3-5-6(4-8(7)24-13)20-12(19-5)21-11(22)9-10(16)18-2-1-17-9/h1-7,9-11H,8H2,(H2,26,27,28,30);1-6,8H,7H2,(H2,25,26,27,29);1-6H,(H2,24,25,26,27);2*1-6H,(H,22,24,26)(H2,20,21,23,25);1-4H,(H2,16,18)(H2,19,20,21,22)/b7-6+;;;;;.
What are the key properties of 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide?
3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide has a molecular weight of 2583.35 g/mol, XLogP of 22.11, 24 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 160848963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).