6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine

C168H165F6N31O7S4 — CID 157340256

IUPAC6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine
SMILESCN(C)c1nc2cc(N3CCc4[nH]c5cc(F)ccc5c4C3)ccc2o1.CN(C)c1nc2cc(N3CCc4c(c5cc(F)ccc5n4C)C3)ccc2o1.CN(C)c1nc2ccc(N3CCc4[nH]c5cc(F)ccc5c4C3)cc2o1.CNc1nc2ccc(N3CCc4c(c5cc(F)ccc5n4C)C3)cc2s1.Cc1ccc2[nH]c3c(c2c1)CN(c1ccc2sc(N(C)C)nc2c1)CC3.Cc1ccc2c(c1)c1c(n2C)CCN(c2ccc3nc(N(C)C)sc3c2)C1.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2nc(N4CCOCC4)sc2c1)CC3.Fc1ccc2oc3c(c2c1)CN(c1ccc2nc(N4CCOCC4)oc2c1)CC3
InChIInChI=1S/C22H21FN4OS.C22H20FN3O3.C22H24N4S.C21H21FN4O.C21H22N4S.2C20H19FN4O.C20H19FN4S/c23-14-1-3-18-16(11-14)17-13-27(6-5-19(17)24-18)15-2-4-20-21(12-15)29-22(25-20)26-7-9-28-10-8-26;23-14-1-4-19-16(11-14)17-13-26(6-5-20(17)28-19)15-2-3-18-21(12-15)29-22(24-18)25-7-9-27-10-8-25;1-14-5-8-19-16(11-14)17-13-26(10-9-20(17)25(19)4)15-6-7-18-21(12-15)27-22(23-18)24(2)3;1-24(2)21-23-17-11-14(5-7-20(17)27-21)26-9-8-19-16(12-26)15-10-13(22)4-6-18(15)25(19)3;1-13-4-6-17-15(10-13)16-12-25(9-8-18(16)22-17)14-5-7-20-19(11-14)23-21(26-20)24(2)3;1-24(2)20-23-18-10-13(4-6-19(18)26-20)25-8-7-16-15(11-25)14-5-3-12(21)9-17(14)22-16;1-24(2)20-23-17-6-4-13(10-19(17)26-20)25-8-7-16-15(11-25)14-5-3-12(21)9-18(14)22-16;1-22-20-23-16-5-4-13(10-19(16)26-20)25-8-7-18-15(11-25)14-9-12(21)3-6-17(14)24(18)2/h1-4,11-12,24H,5-10,13H2;1-4,11-12H,5-10,13H2;5-8,11-12H,9-10,13H2,1-4H3;4-7,10-11H,8-9,12H2,1-3H3;4-7,10-11,22H,8-9,12H2,1-3H3;2*3-6,9-10,22H,7-8,11H2,1-2H3;3-6,9-10H,7-8,11H2,1-2H3,(H,22,23)
InChIKeyBGHTUESNYXUTAL-UHFFFAOYSA-N
MW2972.63 g/mol
LogP34.64
Rot. Bonds16

About 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine

6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine (PubChem CID 157340256) has the molecular formula C168H165F6N31O7S4 and a molecular weight of 2972.63 g/mol. Its IUPAC name is 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine
PubChem CID157340256
Molecular FormulaC168H165F6N31O7S4
Molecular Weight2972.63 g/mol
Exact Mass2970.23
IUPAC Name6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine
SMILESCN(C)c1nc2cc(N3CCc4[nH]c5cc(F)ccc5c4C3)ccc2o1.CN(C)c1nc2cc(N3CCc4c(c5cc(F)ccc5n4C)C3)ccc2o1.CN(C)c1nc2ccc(N3CCc4[nH]c5cc(F)ccc5c4C3)cc2o1.CNc1nc2ccc(N3CCc4c(c5cc(F)ccc5n4C)C3)cc2s1.Cc1ccc2[nH]c3c(c2c1)CN(c1ccc2sc(N(C)C)nc2c1)CC3.Cc1ccc2c(c1)c1c(n2C)CCN(c2ccc3nc(N(C)C)sc3c2)C1.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2nc(N4CCOCC4)sc2c1)CC3.Fc1ccc2oc3c(c2c1)CN(c1ccc2nc(N4CCOCC4)oc2c1)CC3
InChIInChI=1S/C22H21FN4OS.C22H20FN3O3.C22H24N4S.C21H21FN4O.C21H22N4S.2C20H19FN4O.C20H19FN4S/c23-14-1-3-18-16(11-14)17-13-27(6-5-19(17)24-18)15-2-4-20-21(12-15)29-22(25-20)26-7-9-28-10-8-26;23-14-1-4-19-16(11-14)17-13-26(6-5-20(17)28-19)15-2-3-18-21(12-15)29-22(24-18)25-7-9-27-10-8-25;1-14-5-8-19-16(11-14)17-13-26(10-9-20(17)25(19)4)15-6-7-18-21(12-15)27-22(23-18)24(2)3;1-24(2)21-23-17-11-14(5-7-20(17)27-21)26-9-8-19-16(12-26)15-10-13(22)4-6-18(15)25(19)3;1-13-4-6-17-15(10-13)16-12-25(9-8-18(16)22-17)14-5-7-20-19(11-14)23-21(26-20)24(2)3;1-24(2)20-23-18-10-13(4-6-19(18)26-20)25-8-7-16-15(11-25)14-5-3-12(21)9-17(14)22-16;1-24(2)20-23-17-6-4-13(10-19(17)26-20)25-8-7-16-15(11-25)14-5-3-12(21)9-18(14)22-16;1-22-20-23-16-5-4-13(10-19(16)26-20)25-8-7-18-15(11-25)14-9-12(21)3-6-17(14)24(18)2/h1-4,11-12,24H,5-10,13H2;1-4,11-12H,5-10,13H2;5-8,11-12H,9-10,13H2,1-4H3;4-7,10-11H,8-9,12H2,1-3H3;4-7,10-11,22H,8-9,12H2,1-3H3;2*3-6,9-10,22H,7-8,11H2,1-2H3;3-6,9-10H,7-8,11H2,1-2H3,(H,22,23)
InChIKeyBGHTUESNYXUTAL-UHFFFAOYSA-N
XLogP34.64
TPSA325.86 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds16
Heavy Atoms216
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002972.63
LogP ≤ 534.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine?
The IUPAC name of 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine (CID 157340256) is 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine is CN(C)c1nc2cc(N3CCc4[nH]c5cc(F)ccc5c4C3)ccc2o1.CN(C)c1nc2cc(N3CCc4c(c5cc(F)ccc5n4C)C3)ccc2o1.CN(C)c1nc2ccc(N3CCc4[nH]c5cc(F)ccc5c4C3)cc2o1.CNc1nc2ccc(N3CCc4c(c5cc(F)ccc5n4C)C3)cc2s1.Cc1ccc2[nH]c3c(c2c1)CN(c1ccc2sc(N(C)C)nc2c1)CC3.Cc1ccc2c(c1)c1c(n2C)CCN(c2ccc3nc(N(C)C)sc3c2)C1.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2nc(N4CCOCC4)sc2c1)CC3.Fc1ccc2oc3c(c2c1)CN(c1ccc2nc(N4CCOCC4)oc2c1)CC3.
What is the InChIKey of 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine?
The InChIKey is BGHTUESNYXUTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4OS.C22H20FN3O3.C22H24N4S.C21H21FN4O.C21H22N4S.2C20H19FN4O.C20H19FN4S/c23-14-1-3-18-16(11-14)17-13-27(6-5-19(17)24-18)15-2-4-20-21(12-15)29-22(25-20)26-7-9-28-10-8-26;23-14-1-4-19-16(11-14)17-13-26(6-5-20(17)28-19)15-2-3-18-21(12-15)29-22(24-18)25-7-9-27-10-8-25;1-14-5-8-19-16(11-14)17-13-26(10-9-20(17)25(19)4)15-6-7-18-21(12-15)27-22(23-18)24(2)3;1-24(2)21-23-17-11-14(5-7-20(17)27-21)26-9-8-19-16(12-26)15-10-13(22)4-6-18(15)25(19)3;1-13-4-6-17-15(10-13)16-12-25(9-8-18(16)22-17)14-5-7-20-19(11-14)23-21(26-20)24(2)3;1-24(2)20-23-18-10-13(4-6-19(18)26-20)25-8-7-16-15(11-25)14-5-3-12(21)9-17(14)22-16;1-24(2)20-23-17-6-4-13(10-19(17)26-20)25-8-7-16-15(11-25)14-5-3-12(21)9-18(14)22-16;1-22-20-23-16-5-4-13(10-19(16)26-20)25-8-7-18-15(11-25)14-9-12(21)3-6-17(14)24(18)2/h1-4,11-12,24H,5-10,13H2;1-4,11-12H,5-10,13H2;5-8,11-12H,9-10,13H2,1-4H3;4-7,10-11H,8-9,12H2,1-3H3;4-7,10-11,22H,8-9,12H2,1-3H3;2*3-6,9-10,22H,7-8,11H2,1-2H3;3-6,9-10H,7-8,11H2,1-2H3,(H,22,23).
What are the key properties of 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine?
6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine has a molecular weight of 2972.63 g/mol, XLogP of 34.64, 16 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;N,N-dimethyl-5-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-amine;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine;8-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 157340256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).