N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one

C189H203F8N21O12 — CID 162196567

IUPACN,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one
SMILESCC/C(=C(/c1ccc(OCCCC/C=C/C(C)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CC/C(=C(\c1ccc2n[nH]c(F)c2c1)c1ccc(OCCCC/C=C/C(=O)NC)cn1)c1ccccc1.CC/C(=C(\c1ccc2n[nH]c(F)c2c1)c1cnc(OCCCC/C=C/C(=O)NC)cn1)c1ccccc1.CCCCC(=O)/C=C/CCCCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CCCN(C)C(=O)CCCCCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CN(C)C(=O)CCCCCCOc1ccc(/C(=C(\CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cc1
InChIInChI=1S/C34H38FN3O2.C33H39FN4O2.C32H33F4N3O2.C31H32N2O2.C30H31FN4O2.C29H30FN5O2/c1-3-5-16-28(39)17-12-7-6-8-13-22-40-32-21-19-27(24-36-32)33(29(4-2)25-14-10-9-11-15-25)26-18-20-31-30(23-26)34(35)38-37-31;1-4-20-38(3)31(39)15-11-6-7-12-21-40-30-19-17-26(23-35-30)32(27(5-2)24-13-9-8-10-14-24)25-16-18-29-28(22-25)33(34)37-36-29;1-39(2)29(40)12-8-3-4-9-19-41-25-16-13-23(14-17-25)30(24-15-18-28-26(20-24)31(33)38-37-28)27(21-32(34,35)36)22-10-6-5-7-11-22;1-3-29(24-12-8-6-9-13-24)31(26-16-19-30-27(21-26)22-32-33-30)25-14-17-28(18-15-25)35-20-10-5-4-7-11-23(2)34;1-3-24(21-11-7-6-8-12-21)29(22-14-16-26-25(19-22)30(31)35-34-26)27-17-15-23(20-33-27)37-18-10-5-4-9-13-28(36)32-2;1-3-22(20-11-7-6-8-12-20)28(21-14-15-24-23(17-21)29(30)35-34-24)25-18-33-27(19-32-25)37-16-10-5-4-9-13-26(36)31-2/h9-12,14-15,17-21,23-24H,3-8,13,16,22H2,1-2H3,(H,37,38);8-10,13-14,16-19,22-23H,4-7,11-12,15,20-21H2,1-3H3,(H,36,37);5-7,10-11,13-18,20H,3-4,8-9,12,19,21H2,1-2H3,(H,37,38);6-9,11-19,21-22H,3-5,10,20H2,1-2H3,(H,32,33);6-9,11-17,19-20H,3-5,10,18H2,1-2H3,(H,32,36)(H,34,35);6-9,11-15,17-19H,3-5,10,16H2,1-2H3,(H,31,36)(H,34,35)/b17-12+,33-29-;32-27-;30-27-;11-7+,31-29+;13-9+,29-24-;13-9+,28-22-
InChIKeyZRACHKOCMVENFW-MUEAHVRTSA-N
MW3112.82 g/mol
LogP44.07
Rot. Bonds74

About N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one

N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one (PubChem CID 162196567) has the molecular formula C189H203F8N21O12 and a molecular weight of 3112.82 g/mol. Its IUPAC name is N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one.

Molecular Properties

Compound NameN,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one
PubChem CID162196567
Molecular FormulaC189H203F8N21O12
Molecular Weight3112.82 g/mol
Exact Mass3110.58
IUPAC NameN,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one
SMILESCC/C(=C(/c1ccc(OCCCC/C=C/C(C)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CC/C(=C(\c1ccc2n[nH]c(F)c2c1)c1ccc(OCCCC/C=C/C(=O)NC)cn1)c1ccccc1.CC/C(=C(\c1ccc2n[nH]c(F)c2c1)c1cnc(OCCCC/C=C/C(=O)NC)cn1)c1ccccc1.CCCCC(=O)/C=C/CCCCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CCCN(C)C(=O)CCCCCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CN(C)C(=O)CCCCCCOc1ccc(/C(=C(\CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cc1
InChIInChI=1S/C34H38FN3O2.C33H39FN4O2.C32H33F4N3O2.C31H32N2O2.C30H31FN4O2.C29H30FN5O2/c1-3-5-16-28(39)17-12-7-6-8-13-22-40-32-21-19-27(24-36-32)33(29(4-2)25-14-10-9-11-15-25)26-18-20-31-30(23-26)34(35)38-37-31;1-4-20-38(3)31(39)15-11-6-7-12-21-40-30-19-17-26(23-35-30)32(27(5-2)24-13-9-8-10-14-24)25-16-18-29-28(22-25)33(34)37-36-29;1-39(2)29(40)12-8-3-4-9-19-41-25-16-13-23(14-17-25)30(24-15-18-28-26(20-24)31(33)38-37-28)27(21-32(34,35)36)22-10-6-5-7-11-22;1-3-29(24-12-8-6-9-13-24)31(26-16-19-30-27(21-26)22-32-33-30)25-14-17-28(18-15-25)35-20-10-5-4-7-11-23(2)34;1-3-24(21-11-7-6-8-12-21)29(22-14-16-26-25(19-22)30(31)35-34-26)27-17-15-23(20-33-27)37-18-10-5-4-9-13-28(36)32-2;1-3-22(20-11-7-6-8-12-20)28(21-14-15-24-23(17-21)29(30)35-34-24)25-18-33-27(19-32-25)37-16-10-5-4-9-13-26(36)31-2/h9-12,14-15,17-21,23-24H,3-8,13,16,22H2,1-2H3,(H,37,38);8-10,13-14,16-19,22-23H,4-7,11-12,15,20-21H2,1-3H3,(H,36,37);5-7,10-11,13-18,20H,3-4,8-9,12,19,21H2,1-2H3,(H,37,38);6-9,11-19,21-22H,3-5,10,20H2,1-2H3,(H,32,33);6-9,11-17,19-20H,3-5,10,18H2,1-2H3,(H,32,36)(H,34,35);6-9,11-15,17-19H,3-5,10,16H2,1-2H3,(H,31,36)(H,34,35)/b17-12+,33-29-;32-27-;30-27-;11-7+,31-29+;13-9+,29-24-;13-9+,28-22-
InChIKeyZRACHKOCMVENFW-MUEAHVRTSA-N
XLogP44.07
TPSA424.87 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds74
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003112.82
LogP ≤ 544.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one 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

N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137038288
N-[5-[1-[4-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]butyl-methylamino]-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137088519
N-[5-[1-[[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]ethyl-methylamino]methyl]-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137103195
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137113875
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137113987
2-cyclohexyl-N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137113997
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137114144
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137114158
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137116455
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137116980
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137117090
5-(5-amino-3-pyridinyl)-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-N-[2-[3-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenoxy]ethyl]-N-methylindazol-1-amine
CID 145252588

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one?
The IUPAC name of N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one (CID 162196567) is N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one.
What is the SMILES notation for N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one?
The canonical SMILES for N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one is CC/C(=C(/c1ccc(OCCCC/C=C/C(C)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CC/C(=C(\c1ccc2n[nH]c(F)c2c1)c1ccc(OCCCC/C=C/C(=O)NC)cn1)c1ccccc1.CC/C(=C(\c1ccc2n[nH]c(F)c2c1)c1cnc(OCCCC/C=C/C(=O)NC)cn1)c1ccccc1.CCCCC(=O)/C=C/CCCCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CCCN(C)C(=O)CCCCCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CN(C)C(=O)CCCCCCOc1ccc(/C(=C(\CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cc1.
What is the InChIKey of N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one?
The InChIKey is ZRACHKOCMVENFW-MUEAHVRTSA-N. The full InChI is InChI=1S/C34H38FN3O2.C33H39FN4O2.C32H33F4N3O2.C31H32N2O2.C30H31FN4O2.C29H30FN5O2/c1-3-5-16-28(39)17-12-7-6-8-13-22-40-32-21-19-27(24-36-32)33(29(4-2)25-14-10-9-11-15-25)26-18-20-31-30(23-26)34(35)38-37-31;1-4-20-38(3)31(39)15-11-6-7-12-21-40-30-19-17-26(23-35-30)32(27(5-2)24-13-9-8-10-14-24)25-16-18-29-28(22-25)33(34)37-36-29;1-39(2)29(40)12-8-3-4-9-19-41-25-16-13-23(14-17-25)30(24-15-18-28-26(20-24)31(33)38-37-28)27(21-32(34,35)36)22-10-6-5-7-11-22;1-3-29(24-12-8-6-9-13-24)31(26-16-19-30-27(21-26)22-32-33-30)25-14-17-28(18-15-25)35-20-10-5-4-7-11-23(2)34;1-3-24(21-11-7-6-8-12-21)29(22-14-16-26-25(19-22)30(31)35-34-26)27-17-15-23(20-33-27)37-18-10-5-4-9-13-28(36)32-2;1-3-22(20-11-7-6-8-12-20)28(21-14-15-24-23(17-21)29(30)35-34-24)25-18-33-27(19-32-25)37-16-10-5-4-9-13-26(36)31-2/h9-12,14-15,17-21,23-24H,3-8,13,16,22H2,1-2H3,(H,37,38);8-10,13-14,16-19,22-23H,4-7,11-12,15,20-21H2,1-3H3,(H,36,37);5-7,10-11,13-18,20H,3-4,8-9,12,19,21H2,1-2H3,(H,37,38);6-9,11-19,21-22H,3-5,10,20H2,1-2H3,(H,32,33);6-9,11-17,19-20H,3-5,10,18H2,1-2H3,(H,32,36)(H,34,35);6-9,11-15,17-19H,3-5,10,16H2,1-2H3,(H,31,36)(H,34,35)/b17-12+,33-29-;32-27-;30-27-;11-7+,31-29+;13-9+,29-24-;13-9+,28-22-.
What are the key properties of N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one?
N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one has a molecular weight of 3112.82 g/mol, XLogP of 44.07, 74 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;(E)-7-[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxy-N-methylhept-2-enamide;(E)-12-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one;(E)-7-[[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylheptanamide;(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one is sourced from PubChem (CID 162196567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).