3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole

C138H135Cl11N26O5 — CID 158492821

IUPAC3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)c4ccccc34)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)cc3Cl)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)nn3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3cnc(CN4CCCCC4)cn3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ncc(CN4CCCCC4)cn3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C32H30Cl2N4O.C28H27Cl3N4O.3C26H26Cl2N6O/c1-21(32-28(33)18-35-19-29(32)34)39-24-12-14-31-27(17-24)30(36-37-31)13-11-22-9-10-23(20-38-15-5-2-6-16-38)26-8-4-3-7-25(22)26;1-18(28-24(30)15-32-16-25(28)31)36-21-8-10-27-22(14-21)26(33-34-27)9-7-20-6-5-19(13-23(20)29)17-35-11-3-2-4-12-35;1-17(26-22(27)14-29-15-23(26)28)35-20-6-8-25-21(11-20)24(32-33-25)7-5-18-12-31-19(13-30-18)16-34-9-3-2-4-10-34;1-17(26-22(27)14-29-15-23(26)28)35-20-8-10-25-21(13-20)24(32-33-25)9-7-18-5-6-19(31-30-18)16-34-11-3-2-4-12-34;1-17(26-21(27)14-29-15-22(26)28)35-19-5-6-23-20(11-19)24(33-32-23)7-8-25-30-12-18(13-31-25)16-34-9-3-2-4-10-34/h3-4,7-14,17-19,21H,2,5-6,15-16,20H2,1H3,(H,36,37);5-10,13-16,18H,2-4,11-12,17H2,1H3,(H,33,34);5-8,11-15,17H,2-4,9-10,16H2,1H3,(H,32,33);5-10,13-15,17H,2-4,11-12,16H2,1H3,(H,32,33);5-8,11-15,17H,2-4,9-10,16H2,1H3,(H,32,33)/b13-11+;9-7+;7-5+;9-7+;8-7+
InChIKeyHIXHGAMPVDAXPE-GRXSZMHFSA-N
MW2627.76 g/mol
LogP35.98
Rot. Bonds35

About 3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole

3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole (PubChem CID 158492821) has the molecular formula C138H135Cl11N26O5 and a molecular weight of 2627.76 g/mol. Its IUPAC name is 3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole.

Molecular Properties

Compound Name3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole
PubChem CID158492821
Molecular FormulaC138H135Cl11N26O5
Molecular Weight2627.76 g/mol
Exact Mass2620.77
IUPAC Name3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)c4ccccc34)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)cc3Cl)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)nn3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3cnc(CN4CCCCC4)cn3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ncc(CN4CCCCC4)cn3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C32H30Cl2N4O.C28H27Cl3N4O.3C26H26Cl2N6O/c1-21(32-28(33)18-35-19-29(32)34)39-24-12-14-31-27(17-24)30(36-37-31)13-11-22-9-10-23(20-38-15-5-2-6-16-38)26-8-4-3-7-25(22)26;1-18(28-24(30)15-32-16-25(28)31)36-21-8-10-27-22(14-21)26(33-34-27)9-7-20-6-5-19(13-23(20)29)17-35-11-3-2-4-12-35;1-17(26-22(27)14-29-15-23(26)28)35-20-6-8-25-21(11-20)24(32-33-25)7-5-18-12-31-19(13-30-18)16-34-9-3-2-4-10-34;1-17(26-22(27)14-29-15-23(26)28)35-20-8-10-25-21(13-20)24(32-33-25)9-7-18-5-6-19(31-30-18)16-34-11-3-2-4-12-34;1-17(26-21(27)14-29-15-22(26)28)35-19-5-6-23-20(11-19)24(33-32-23)7-8-25-30-12-18(13-31-25)16-34-9-3-2-4-10-34/h3-4,7-14,17-19,21H,2,5-6,15-16,20H2,1H3,(H,36,37);5-10,13-16,18H,2-4,11-12,17H2,1H3,(H,33,34);5-8,11-15,17H,2-4,9-10,16H2,1H3,(H,32,33);5-10,13-15,17H,2-4,11-12,16H2,1H3,(H,32,33);5-8,11-15,17H,2-4,9-10,16H2,1H3,(H,32,33)/b13-11+;9-7+;7-5+;9-7+;8-7+
InChIKeyHIXHGAMPVDAXPE-GRXSZMHFSA-N
XLogP35.98
TPSA347.54 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds35
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002627.76
LogP ≤ 535.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole with MolForge

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Related Compounds

1-Chloro-3-[1-[2-ethoxy-5-fluoro-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[5-fluoro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[2-ethoxy-5-fluoro-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
CID 157254381
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole;4-[dideuterio-[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine
CID 158951089
1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 159343248
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole
CID 159928563
1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 160450569
1-Chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-5-fluoro-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[5-fluoro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[2-ethoxy-5-fluoro-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
CID 165006331
N-[[[5-[1-tert-butyl-2-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-yl]amino]-[5-[1-tert-butyl-2-[5-methoxy-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-yl]amino]-N-[[5-[1-tert-butyl-2-[2-(2-ethyl-1,2,4-triazol-3-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-yl]amino]-5-[1-tert-butyl-2-[2-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]benzimidazol-5-yl]pyrimidin-2-amine
CID 87315621
1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine
CID 123601400
6-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-7-[[1-[2-[7-[3-iodo-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-1-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]imidazol-4-yl]methyl]-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]imidazol-4-yl]methyl]-1-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-(1-methylpyrazol-4-yl)-4,5-dihydro-3H-2-benzazepine
CID 126560869
1-[4-[3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-chloroisoquinolin-1-yl]piperazin-1-yl]ethanone;1-[(8-chloro-1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-1-[[8-methyl-1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine;3-iodo-1-[(8-methyl-1-propan-2-yloxyisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157071242
3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine
CID 157120537
bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;ethane;bis(4-ethylaniline)
CID 157211182

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole?
The IUPAC name of 3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole (CID 158492821) is 3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole.
What is the SMILES notation for 3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole?
The canonical SMILES for 3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole is CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)c4ccccc34)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)cc3Cl)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)nn3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3cnc(CN4CCCCC4)cn3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ncc(CN4CCCCC4)cn3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole?
The InChIKey is HIXHGAMPVDAXPE-GRXSZMHFSA-N. The full InChI is InChI=1S/C32H30Cl2N4O.C28H27Cl3N4O.3C26H26Cl2N6O/c1-21(32-28(33)18-35-19-29(32)34)39-24-12-14-31-27(17-24)30(36-37-31)13-11-22-9-10-23(20-38-15-5-2-6-16-38)26-8-4-3-7-25(22)26;1-18(28-24(30)15-32-16-25(28)31)36-21-8-10-27-22(14-21)26(33-34-27)9-7-20-6-5-19(13-23(20)29)17-35-11-3-2-4-12-35;1-17(26-22(27)14-29-15-23(26)28)35-20-6-8-25-21(11-20)24(32-33-25)7-5-18-12-31-19(13-30-18)16-34-9-3-2-4-10-34;1-17(26-22(27)14-29-15-23(26)28)35-20-8-10-25-21(13-20)24(32-33-25)9-7-18-5-6-19(31-30-18)16-34-11-3-2-4-12-34;1-17(26-21(27)14-29-15-22(26)28)35-19-5-6-23-20(11-19)24(33-32-23)7-8-25-30-12-18(13-31-25)16-34-9-3-2-4-10-34/h3-4,7-14,17-19,21H,2,5-6,15-16,20H2,1H3,(H,36,37);5-10,13-16,18H,2-4,11-12,17H2,1H3,(H,33,34);5-8,11-15,17H,2-4,9-10,16H2,1H3,(H,32,33);5-10,13-15,17H,2-4,11-12,16H2,1H3,(H,32,33);5-8,11-15,17H,2-4,9-10,16H2,1H3,(H,32,33)/b13-11+;9-7+;7-5+;9-7+;8-7+.
What are the key properties of 3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole?
3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole has a molecular weight of 2627.76 g/mol, XLogP of 35.98, 35 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole is sourced from PubChem (CID 158492821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).