5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole)

C128H99F4N19O2S — CID 167627549

IUPAC5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole)
SMILESCOc1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.Cc1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.Cc1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.Fc1cc(F)cc(Oc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1.Fc1cc(F)cc(Sc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1.[C-]#[N+]c1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C22H16N4.C22H19N3O.2C22H19N3.C20H13F2N3O.C20H13F2N3S/c1-23-19-7-4-5-16(14-19)13-17-8-10-21-20(15-17)22(26-25-21)11-9-18-6-2-3-12-24-18;1-26-19-7-4-5-16(14-19)13-17-8-10-21-20(15-17)22(25-24-21)11-9-18-6-2-3-12-23-18;2*1-16-5-4-6-17(13-16)14-18-8-10-21-20(15-18)22(25-24-21)11-9-19-7-2-3-12-23-19;2*21-13-9-14(22)11-17(10-13)26-16-5-7-20-18(12-16)19(24-25-20)6-4-15-3-1-2-8-23-15/h2-12,14-15H,13H2,(H,25,26);2-12,14-15H,13H2,1H3,(H,24,25);2*2-13,15H,14H2,1H3,(H,24,25);2*1-12H,(H,24,25)/b4*11-9+;2*6-4+
InChIKeyNIAVXDLKWYHJFH-YJMRTKJJSA-N
MW2043.39 g/mol
LogP30.81
Rot. Bonds25

About 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole)

5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole) (PubChem CID 167627549) has the molecular formula C128H99F4N19O2S and a molecular weight of 2043.39 g/mol. Its IUPAC name is 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole).

Molecular Properties

Compound Name5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole)
PubChem CID167627549
Molecular FormulaC128H99F4N19O2S
Molecular Weight2043.39 g/mol
Exact Mass2041.79
IUPAC Name5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole)
SMILESCOc1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.Cc1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.Cc1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.Fc1cc(F)cc(Oc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1.Fc1cc(F)cc(Sc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1.[C-]#[N+]c1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C22H16N4.C22H19N3O.2C22H19N3.C20H13F2N3O.C20H13F2N3S/c1-23-19-7-4-5-16(14-19)13-17-8-10-21-20(15-17)22(26-25-21)11-9-18-6-2-3-12-24-18;1-26-19-7-4-5-16(14-19)13-17-8-10-21-20(15-17)22(25-24-21)11-9-18-6-2-3-12-23-18;2*1-16-5-4-6-17(13-16)14-18-8-10-21-20(15-18)22(25-24-21)11-9-19-7-2-3-12-23-19;2*21-13-9-14(22)11-17(10-13)26-16-5-7-20-18(12-16)19(24-25-20)6-4-15-3-1-2-8-23-15/h2-12,14-15H,13H2,(H,25,26);2-12,14-15H,13H2,1H3,(H,24,25);2*2-13,15H,14H2,1H3,(H,24,25);2*1-12H,(H,24,25)/b4*11-9+;2*6-4+
InChIKeyNIAVXDLKWYHJFH-YJMRTKJJSA-N
XLogP30.81
TPSA272.24 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002043.39
LogP ≤ 530.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole) with MolForge

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Related Compounds

5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 156734155
3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole
CID 175206002
N-ethoxy-3-fluoro-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
CID 91130829
5-[(3-methoxyphenyl)methyl]-3-(2-pyridin-2-ylethynyl)-2H-indazole
CID 156734063
N-methyl-2-[[3-[(Z)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 162040435
2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide
CID 172560802
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134146680
N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide
CID 175129584
2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
CID 91200935
N-(4-methylphenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134152183
2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
CID 166728497
ethyl 2-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]acetate
CID 134138342

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole)?
The IUPAC name of 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole) (CID 167627549) is 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole).
What is the SMILES notation for 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole)?
The canonical SMILES for 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole) is COc1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.Cc1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.Cc1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.Fc1cc(F)cc(Oc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1.Fc1cc(F)cc(Sc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1.[C-]#[N+]c1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.
What is the InChIKey of 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole)?
The InChIKey is NIAVXDLKWYHJFH-YJMRTKJJSA-N. The full InChI is InChI=1S/C22H16N4.C22H19N3O.2C22H19N3.C20H13F2N3O.C20H13F2N3S/c1-23-19-7-4-5-16(14-19)13-17-8-10-21-20(15-17)22(26-25-21)11-9-18-6-2-3-12-24-18;1-26-19-7-4-5-16(14-19)13-17-8-10-21-20(15-17)22(25-24-21)11-9-18-6-2-3-12-23-18;2*1-16-5-4-6-17(13-16)14-18-8-10-21-20(15-18)22(25-24-21)11-9-19-7-2-3-12-23-19;2*21-13-9-14(22)11-17(10-13)26-16-5-7-20-18(12-16)19(24-25-20)6-4-15-3-1-2-8-23-15/h2-12,14-15H,13H2,(H,25,26);2-12,14-15H,13H2,1H3,(H,24,25);2*2-13,15H,14H2,1H3,(H,24,25);2*1-12H,(H,24,25)/b4*11-9+;2*6-4+.
What are the key properties of 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole)?
5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole) has a molecular weight of 2043.39 g/mol, XLogP of 30.81, 25 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole) is sourced from PubChem (CID 167627549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).