6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine

C163H167F7N30O6S2 — CID 157493712

IUPAC6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine
SMILESCN(C)c1nc2cc(N3CCc4c([nH]c5ccc(F)cc45)C3)ccc2s1.CN(C)c1nc2cc(N3CCc4c(n(C)c5ccc(F)cc45)C3)ccc2o1.CN(C)c1nc2cc(N3CCc4c(n(C)c5ccc(F)cc45)C3)ccc2s1.CN(C)c1nc2ccc(N3CCc4c(n(C)c5ccc(F)cc45)C3)cc2o1.COc1cc(N2CCc3c(n(C)c4ccc(F)cc34)C2)ccc1F.Cn1c2c(c3cc(F)ccc31)CCN(c1ccc(N3CCOCC3)nc1)C2.c1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)cn1)CC3.c1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)nc1)CC3
InChIInChI=1S/2C21H21FN4O.C21H23FN4O.C21H21FN4S.C20H19FN4S.2C20H22N4O.C19H18F2N2O/c1-24(2)21-23-17-6-5-14(11-20(17)27-21)26-9-8-15-16-10-13(22)4-7-18(16)25(3)19(15)12-26;1-24(2)21-23-17-11-14(5-7-20(17)27-21)26-9-8-15-16-10-13(22)4-6-18(16)25(3)19(15)12-26;1-24-19-4-2-15(22)12-18(19)17-6-7-26(14-20(17)24)16-3-5-21(23-13-16)25-8-10-27-11-9-25;1-24(2)21-23-17-11-14(5-7-20(17)27-21)26-9-8-15-16-10-13(22)4-6-18(16)25(3)19(15)12-26;1-24(2)20-23-17-10-13(4-6-19(17)26-20)25-8-7-14-15-9-12(21)3-5-16(15)22-18(14)11-25;1-2-4-18-16(3-1)17-7-8-24(14-19(17)22-18)15-5-6-20(21-13-15)23-9-11-25-12-10-23;1-2-4-18-16(3-1)17-7-8-24(14-19(17)22-18)20-6-5-15(13-21-20)23-9-11-25-12-10-23;1-22-17-6-3-12(20)9-15(17)14-7-8-23(11-18(14)22)13-4-5-16(21)19(10-13)24-2/h2*4-7,10-11H,8-9,12H2,1-3H3;2-5,12-13H,6-11,14H2,1H3;4-7,10-11H,8-9,12H2,1-3H3;3-6,9-10,22H,7-8,11H2,1-2H3;2*1-6,13,22H,7-12,14H2;3-6,9-10H,7-8,11H2,1-2H3
InChIKeyBXONYFMAYKLLIN-UHFFFAOYSA-N
MW2839.45 g/mol
LogP30.34
Rot. Bonds16

About 6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine

6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine (PubChem CID 157493712) has the molecular formula C163H167F7N30O6S2 and a molecular weight of 2839.45 g/mol. Its IUPAC name is 6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine.

Molecular Properties

Compound Name6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine
PubChem CID157493712
Molecular FormulaC163H167F7N30O6S2
Molecular Weight2839.45 g/mol
Exact Mass2837.30
IUPAC Name6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine
SMILESCN(C)c1nc2cc(N3CCc4c([nH]c5ccc(F)cc45)C3)ccc2s1.CN(C)c1nc2cc(N3CCc4c(n(C)c5ccc(F)cc45)C3)ccc2o1.CN(C)c1nc2cc(N3CCc4c(n(C)c5ccc(F)cc45)C3)ccc2s1.CN(C)c1nc2ccc(N3CCc4c(n(C)c5ccc(F)cc45)C3)cc2o1.COc1cc(N2CCc3c(n(C)c4ccc(F)cc34)C2)ccc1F.Cn1c2c(c3cc(F)ccc31)CCN(c1ccc(N3CCOCC3)nc1)C2.c1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)cn1)CC3.c1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)nc1)CC3
InChIInChI=1S/2C21H21FN4O.C21H23FN4O.C21H21FN4S.C20H19FN4S.2C20H22N4O.C19H18F2N2O/c1-24(2)21-23-17-6-5-14(11-20(17)27-21)26-9-8-15-16-10-13(22)4-7-18(16)25(3)19(15)12-26;1-24(2)21-23-17-11-14(5-7-20(17)27-21)26-9-8-15-16-10-13(22)4-6-18(16)25(3)19(15)12-26;1-24-19-4-2-15(22)12-18(19)17-6-7-26(14-20(17)24)16-3-5-21(23-13-16)25-8-10-27-11-9-25;1-24(2)21-23-17-11-14(5-7-20(17)27-21)26-9-8-15-16-10-13(22)4-6-18(16)25(3)19(15)12-26;1-24(2)20-23-17-10-13(4-6-19(17)26-20)25-8-7-14-15-9-12(21)3-5-16(15)22-18(14)11-25;1-2-4-18-16(3-1)17-7-8-24(14-19(17)22-18)15-5-6-20(21-13-15)23-9-11-25-12-10-23;1-2-4-18-16(3-1)17-7-8-24(14-19(17)22-18)20-6-5-15(13-21-20)23-9-11-25-12-10-23;1-22-17-6-3-12(20)9-15(17)14-7-8-23(11-18(14)22)13-4-5-16(21)19(10-13)24-2/h2*4-7,10-11H,8-9,12H2,1-3H3;2-5,12-13H,6-11,14H2,1H3;4-7,10-11H,8-9,12H2,1-3H3;3-6,9-10,22H,7-8,11H2,1-2H3;2*1-6,13,22H,7-12,14H2;3-6,9-10H,7-8,11H2,1-2H3
InChIKeyBXONYFMAYKLLIN-UHFFFAOYSA-N
XLogP30.34
TPSA274.05 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds16
Heavy Atoms208
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002839.45
LogP ≤ 530.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine?
The IUPAC name of 6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine (CID 157493712) is 6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine.
What is the SMILES notation for 6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine?
The canonical SMILES for 6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine is CN(C)c1nc2cc(N3CCc4c([nH]c5ccc(F)cc45)C3)ccc2s1.CN(C)c1nc2cc(N3CCc4c(n(C)c5ccc(F)cc45)C3)ccc2o1.CN(C)c1nc2cc(N3CCc4c(n(C)c5ccc(F)cc45)C3)ccc2s1.CN(C)c1nc2ccc(N3CCc4c(n(C)c5ccc(F)cc45)C3)cc2o1.COc1cc(N2CCc3c(n(C)c4ccc(F)cc34)C2)ccc1F.Cn1c2c(c3cc(F)ccc31)CCN(c1ccc(N3CCOCC3)nc1)C2.c1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)cn1)CC3.c1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)nc1)CC3.
What is the InChIKey of 6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine?
The InChIKey is BXONYFMAYKLLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21FN4O.C21H23FN4O.C21H21FN4S.C20H19FN4S.2C20H22N4O.C19H18F2N2O/c1-24(2)21-23-17-6-5-14(11-20(17)27-21)26-9-8-15-16-10-13(22)4-7-18(16)25(3)19(15)12-26;1-24(2)21-23-17-11-14(5-7-20(17)27-21)26-9-8-15-16-10-13(22)4-6-18(16)25(3)19(15)12-26;1-24-19-4-2-15(22)12-18(19)17-6-7-26(14-20(17)24)16-3-5-21(23-13-16)25-8-10-27-11-9-25;1-24(2)21-23-17-11-14(5-7-20(17)27-21)26-9-8-15-16-10-13(22)4-6-18(16)25(3)19(15)12-26;1-24(2)20-23-17-10-13(4-6-19(17)26-20)25-8-7-14-15-9-12(21)3-5-16(15)22-18(14)11-25;1-2-4-18-16(3-1)17-7-8-24(14-19(17)22-18)15-5-6-20(21-13-15)23-9-11-25-12-10-23;1-2-4-18-16(3-1)17-7-8-24(14-19(17)22-18)20-6-5-15(13-21-20)23-9-11-25-12-10-23;1-22-17-6-3-12(20)9-15(17)14-7-8-23(11-18(14)22)13-4-5-16(21)19(10-13)24-2/h2*4-7,10-11H,8-9,12H2,1-3H3;2-5,12-13H,6-11,14H2,1H3;4-7,10-11H,8-9,12H2,1-3H3;3-6,9-10,22H,7-8,11H2,1-2H3;2*1-6,13,22H,7-12,14H2;3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine?
6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine has a molecular weight of 2839.45 g/mol, XLogP of 30.34, 16 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-fluoro-3-methoxyphenyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine is sourced from PubChem (CID 157493712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).