5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine

C110H82ClFN16 — CID 159440601

IUPAC5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine
SMILESCc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Cc1cnccc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Clc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Fc1cccc2cncc(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)c12.Nc1cccc2c(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)cncc12
InChIInChI=1S/C24H16FN3.C24H18N4.2C21H17N3.C20H14ClN3/c25-21-8-4-7-18-14-26-15-20(24(18)21)17-10-12-23-19(13-17)22(27-28-23)11-9-16-5-2-1-3-6-16;25-22-8-4-7-18-20(14-26-15-21(18)22)17-10-12-24-19(13-17)23(27-28-24)11-9-16-5-2-1-3-6-16;1-15-14-22-12-11-18(15)17-8-10-21-19(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;1-15-11-12-22-14-19(15)17-8-10-21-18(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;21-18-10-11-22-13-17(18)15-7-9-20-16(12-15)19(23-24-20)8-6-14-4-2-1-3-5-14/h1-15H,(H,27,28);1-15H,25H2,(H,27,28);2*2-14H,1H3,(H,23,24);1-13H,(H,23,24)/b2*11-9+;2*9-7+;8-6+
InChIKeyLSCVFLQUYHXATR-NPJXLGAJSA-N
MW1682.43 g/mol
LogP27.27
Rot. Bonds15

About 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine

5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine (PubChem CID 159440601) has the molecular formula C110H82ClFN16 and a molecular weight of 1682.43 g/mol. Its IUPAC name is 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine.

Molecular Properties

Compound Name5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine
PubChem CID159440601
Molecular FormulaC110H82ClFN16
Molecular Weight1682.43 g/mol
Exact Mass1680.66
IUPAC Name5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine
SMILESCc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Cc1cnccc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Clc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Fc1cccc2cncc(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)c12.Nc1cccc2c(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)cncc12
InChIInChI=1S/C24H16FN3.C24H18N4.2C21H17N3.C20H14ClN3/c25-21-8-4-7-18-14-26-15-20(24(18)21)17-10-12-23-19(13-17)22(27-28-23)11-9-16-5-2-1-3-6-16;25-22-8-4-7-18-20(14-26-15-21(18)22)17-10-12-24-19(13-17)23(27-28-24)11-9-16-5-2-1-3-6-16;1-15-14-22-12-11-18(15)17-8-10-21-19(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;1-15-11-12-22-14-19(15)17-8-10-21-18(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;21-18-10-11-22-13-17(18)15-7-9-20-16(12-15)19(23-24-20)8-6-14-4-2-1-3-5-14/h1-15H,(H,27,28);1-15H,25H2,(H,27,28);2*2-14H,1H3,(H,23,24);1-13H,(H,23,24)/b2*11-9+;2*9-7+;8-6+
InChIKeyLSCVFLQUYHXATR-NPJXLGAJSA-N
XLogP27.27
TPSA233.87 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001682.43
LogP ≤ 527.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine with MolForge

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Related Compounds

3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 137103285
5-[5-(1-cyclohexylethenylamino)-3-pyridinyl]-N-[3-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenyl]propyl]-3-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-6,7-dihydro-1H-indol-2-yl]-N-methylindazol-1-amine;ethane
CID 145247990
5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole
CID 155371057
7-(2-chlorophenyl)-N-(1H-indazol-3-yl)-1,6-naphthyridin-5-amine;3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine
CID 157212739
7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carbonitrile;1-methyl-7-[3-(trifluoromethyl)-2H-indazol-5-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 157227647
4-chloro-2-(4-fluorophenyl)quinoline;2-(4-fluorophenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]quinoline;5-(trifluoromethyl)-1H-pyrazole;4-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline
CID 157772624
copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline
CID 158738201
tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
CID 158810104
8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 159203965
N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;6-chloro-4-(4-pyrazol-1-ylpiperidin-1-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 159838592
8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium
CID 159838770
pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tris(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline)
CID 159936804

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine?
The IUPAC name of 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine (CID 159440601) is 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine.
What is the SMILES notation for 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine?
The canonical SMILES for 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine is Cc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Cc1cnccc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Clc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Fc1cccc2cncc(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)c12.Nc1cccc2c(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)cncc12.
What is the InChIKey of 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine?
The InChIKey is LSCVFLQUYHXATR-NPJXLGAJSA-N. The full InChI is InChI=1S/C24H16FN3.C24H18N4.2C21H17N3.C20H14ClN3/c25-21-8-4-7-18-14-26-15-20(24(18)21)17-10-12-23-19(13-17)22(27-28-23)11-9-16-5-2-1-3-6-16;25-22-8-4-7-18-20(14-26-15-21(18)22)17-10-12-24-19(13-17)23(27-28-24)11-9-16-5-2-1-3-6-16;1-15-14-22-12-11-18(15)17-8-10-21-19(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;1-15-11-12-22-14-19(15)17-8-10-21-18(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;21-18-10-11-22-13-17(18)15-7-9-20-16(12-15)19(23-24-20)8-6-14-4-2-1-3-5-14/h1-15H,(H,27,28);1-15H,25H2,(H,27,28);2*2-14H,1H3,(H,23,24);1-13H,(H,23,24)/b2*11-9+;2*9-7+;8-6+.
What are the key properties of 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine?
5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine has a molecular weight of 1682.43 g/mol, XLogP of 27.27, 15 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;5-(3-methyl-4-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine is sourced from PubChem (CID 159440601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).