1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol

C84H90Cl4F3N17O5 — CID 159294040

IUPAC1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol
SMILESCC(O)(Cn1c2c(c3cc(Cl)cnc31)C1CCCN1CC2)c1ccc(C(F)(F)F)nc1.COc1ccc(C(C)(O)Cn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)cn1.Cc1cnc2c(n1)c1c(n2CC(O)c2ccncc2)CCN2CCCC12.OC(Cn1c2c(c3cc(Cl)cnc31)C1CCCN1CC2)c1ccc(Cl)cn1
InChIInChI=1S/C22H22ClF3N4O.C22H25ClN4O2.C20H20Cl2N4O.C20H23N5O/c1-21(31,13-4-5-18(27-10-13)22(24,25)26)12-30-17-6-8-29-7-2-3-16(29)19(17)15-9-14(23)11-28-20(15)30;1-22(28,14-5-6-19(29-2)24-11-14)13-27-18-7-9-26-8-3-4-17(26)20(18)16-10-15(23)12-25-21(16)27;21-12-3-4-15(23-9-12)18(27)11-26-17-5-7-25-6-1-2-16(25)19(17)14-8-13(22)10-24-20(14)26;1-13-11-22-20-19(23-13)18-15-3-2-9-24(15)10-6-16(18)25(20)12-17(26)14-4-7-21-8-5-14/h4-5,9-11,16,31H,2-3,6-8,12H2,1H3;5-6,10-12,17,28H,3-4,7-9,13H2,1-2H3;3-4,8-10,16,18,27H,1-2,5-7,11H2;4-5,7-8,11,15,17,26H,2-3,6,9-10,12H2,1H3
InChIKeyLAMIXVDVTFERKN-UHFFFAOYSA-N
MW1616.56 g/mol
LogP15.12
Rot. Bonds13

About 1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol

1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol (PubChem CID 159294040) has the molecular formula C84H90Cl4F3N17O5 and a molecular weight of 1616.56 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol
PubChem CID159294040
Molecular FormulaC84H90Cl4F3N17O5
Molecular Weight1616.56 g/mol
Exact Mass1613.60
IUPAC Name1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol
SMILESCC(O)(Cn1c2c(c3cc(Cl)cnc31)C1CCCN1CC2)c1ccc(C(F)(F)F)nc1.COc1ccc(C(C)(O)Cn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)cn1.Cc1cnc2c(n1)c1c(n2CC(O)c2ccncc2)CCN2CCCC12.OC(Cn1c2c(c3cc(Cl)cnc31)C1CCCN1CC2)c1ccc(Cl)cn1
InChIInChI=1S/C22H22ClF3N4O.C22H25ClN4O2.C20H20Cl2N4O.C20H23N5O/c1-21(31,13-4-5-18(27-10-13)22(24,25)26)12-30-17-6-8-29-7-2-3-16(29)19(17)15-9-14(23)11-28-20(15)30;1-22(28,14-5-6-19(29-2)24-11-14)13-27-18-7-9-26-8-3-4-17(26)20(18)16-10-15(23)12-25-21(16)27;21-12-3-4-15(23-9-12)18(27)11-26-17-5-7-25-6-1-2-16(25)19(17)14-8-13(22)10-24-20(14)26;1-13-11-22-20-19(23-13)18-15-3-2-9-24(15)10-6-16(18)25(20)12-17(26)14-4-7-21-8-5-14/h4-5,9-11,16,31H,2-3,6-8,12H2,1H3;5-6,10-12,17,28H,3-4,7-9,13H2,1-2H3;3-4,8-10,16,18,27H,1-2,5-7,11H2;4-5,7-8,11,15,17,26H,2-3,6,9-10,12H2,1H3
InChIKeyLAMIXVDVTFERKN-UHFFFAOYSA-N
XLogP15.12
TPSA238.84 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001616.56
LogP ≤ 515.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[amino-[1-[2-[3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]piperidin-4-yl]methyl]-1-[3-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]piperidin-4-ol
CID 87462719
1-[3-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]-3-[[1-[2-[3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]piperidin-4-yl]methylamino]piperidin-4-ol
CID 87462720
[2-(Azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol
CID 157125909
[2-[4-(3-Aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(3-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 157129241
tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride
CID 157157113
[2,4-Bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
CID 157210714
[4-Chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
CID 157261895
2-(4-Chlorophenyl)-1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(4-fluorophenyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(4-methoxyphenyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 157378818
1-(5-Chloro-2-pyridinyl)-2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]ethanol;1-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;1-(14-fluoro-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;2-(14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol
CID 157800002
14-Chloro-10-[2-(4-methoxyphenyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
CID 157963397
2-[4-Chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 158120924
1-(4-Chlorophenyl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(4-fluorophenyl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(4-methoxyphenyl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 158220438

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol (CID 159294040) is 1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol is CC(O)(Cn1c2c(c3cc(Cl)cnc31)C1CCCN1CC2)c1ccc(C(F)(F)F)nc1.COc1ccc(C(C)(O)Cn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)cn1.Cc1cnc2c(n1)c1c(n2CC(O)c2ccncc2)CCN2CCCC12.OC(Cn1c2c(c3cc(Cl)cnc31)C1CCCN1CC2)c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol?
The InChIKey is LAMIXVDVTFERKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N4O.C22H25ClN4O2.C20H20Cl2N4O.C20H23N5O/c1-21(31,13-4-5-18(27-10-13)22(24,25)26)12-30-17-6-8-29-7-2-3-16(29)19(17)15-9-14(23)11-28-20(15)30;1-22(28,14-5-6-19(29-2)24-11-14)13-27-18-7-9-26-8-3-4-17(26)20(18)16-10-15(23)12-25-21(16)27;21-12-3-4-15(23-9-12)18(27)11-26-17-5-7-25-6-1-2-16(25)19(17)14-8-13(22)10-24-20(14)26;1-13-11-22-20-19(23-13)18-15-3-2-9-24(15)10-6-16(18)25(20)12-17(26)14-4-7-21-8-5-14/h4-5,9-11,16,31H,2-3,6-8,12H2,1H3;5-6,10-12,17,28H,3-4,7-9,13H2,1-2H3;3-4,8-10,16,18,27H,1-2,5-7,11H2;4-5,7-8,11,15,17,26H,2-3,6,9-10,12H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol?
1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol has a molecular weight of 1616.56 g/mol, XLogP of 15.12, 13 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 159294040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).