N-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide

C93H72F4N18O6S4 — CID 160663581

IUPACN-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide
SMILESCCONC(=O)c1c(F)cccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.CNC(=O)c1c(F)cccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.CONC(=O)c1c(F)cccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.O=C(NNc1ccccn1)c1c(F)cccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C26H19FN6OS.C23H19FN4O2S.C22H17FN4O2S.C22H17FN4OS/c27-20-7-5-8-23(25(20)26(34)33-32-24-9-2-4-15-29-24)35-18-11-12-19-21(30-31-22(19)16-18)13-10-17-6-1-3-14-28-17;1-2-30-28-23(29)22-18(24)7-5-8-21(22)31-16-10-11-17-19(26-27-20(17)14-16)12-9-15-6-3-4-13-25-15;1-29-27-22(28)21-17(23)6-4-7-20(21)30-15-9-10-16-18(25-26-19(16)13-15)11-8-14-5-2-3-12-24-14;1-24-22(28)21-17(23)6-4-7-20(21)29-15-9-10-16-18(26-27-19(16)13-15)11-8-14-5-2-3-12-25-14/h1-16H,(H,29,32)(H,30,31)(H,33,34);3-14H,2H2,1H3,(H,26,27)(H,28,29);2-13H,1H3,(H,25,26)(H,27,28);2-13H,1H3,(H,24,28)(H,26,27)/b13-10+;12-9+;2*11-8+
InChIKeyRLZMSMDHMJFQKT-RLXOKZGASA-N
MW1741.98 g/mol
LogP20.16
Rot. Bonds25

About N-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide

N-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide (PubChem CID 160663581) has the molecular formula C93H72F4N18O6S4 and a molecular weight of 1741.98 g/mol. Its IUPAC name is N-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide.

Molecular Properties

Compound NameN-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide
PubChem CID160663581
Molecular FormulaC93H72F4N18O6S4
Molecular Weight1741.98 g/mol
Exact Mass1740.47
IUPAC NameN-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide
SMILESCCONC(=O)c1c(F)cccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.CNC(=O)c1c(F)cccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.CONC(=O)c1c(F)cccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.O=C(NNc1ccccn1)c1c(F)cccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C26H19FN6OS.C23H19FN4O2S.C22H17FN4O2S.C22H17FN4OS/c27-20-7-5-8-23(25(20)26(34)33-32-24-9-2-4-15-29-24)35-18-11-12-19-21(30-31-22(19)16-18)13-10-17-6-1-3-14-28-17;1-2-30-28-23(29)22-18(24)7-5-8-21(22)31-16-10-11-17-19(26-27-20(17)14-16)12-9-15-6-3-4-13-25-15;1-29-27-22(28)21-17(23)6-4-7-20(21)30-15-9-10-16-18(25-26-19(16)13-15)11-8-14-5-2-3-12-24-14;1-24-22(28)21-17(23)6-4-7-20(21)29-15-9-10-16-18(26-27-19(16)13-15)11-8-14-5-2-3-12-25-14/h1-16H,(H,29,32)(H,30,31)(H,33,34);3-14H,2H2,1H3,(H,26,27)(H,28,29);2-13H,1H3,(H,25,26)(H,27,28);2-13H,1H3,(H,24,28)(H,26,27)/b13-10+;12-9+;2*11-8+
InChIKeyRLZMSMDHMJFQKT-RLXOKZGASA-N
XLogP20.16
TPSA326.06 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001741.98
LogP ≤ 520.16
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-N-[4-fluoro-2-methyl-5-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[2-fluoro-5-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-methoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-prop-2-ynyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide;N'-pyridin-2-yl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide
CID 157896343
N-ethoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;methane;N-methoxy-2-[[3-[(E)-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;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-propan-2-yloxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N'-pyridin-2-yl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide
CID 158984550
2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide
CID 159302326
6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
CID 159966452
2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide;methane
CID 161935442
CID 168321548
CID 168321548

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide?
The IUPAC name of N-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide (CID 160663581) is N-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide.
What is the SMILES notation for N-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide?
The canonical SMILES for N-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide is CCONC(=O)c1c(F)cccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.CNC(=O)c1c(F)cccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.CONC(=O)c1c(F)cccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.O=C(NNc1ccccn1)c1c(F)cccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of N-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide?
The InChIKey is RLZMSMDHMJFQKT-RLXOKZGASA-N. The full InChI is InChI=1S/C26H19FN6OS.C23H19FN4O2S.C22H17FN4O2S.C22H17FN4OS/c27-20-7-5-8-23(25(20)26(34)33-32-24-9-2-4-15-29-24)35-18-11-12-19-21(30-31-22(19)16-18)13-10-17-6-1-3-14-28-17;1-2-30-28-23(29)22-18(24)7-5-8-21(22)31-16-10-11-17-19(26-27-20(17)14-16)12-9-15-6-3-4-13-25-15;1-29-27-22(28)21-17(23)6-4-7-20(21)30-15-9-10-16-18(25-26-19(16)13-15)11-8-14-5-2-3-12-24-14;1-24-22(28)21-17(23)6-4-7-20(21)29-15-9-10-16-18(26-27-19(16)13-15)11-8-14-5-2-3-12-25-14/h1-16H,(H,29,32)(H,30,31)(H,33,34);3-14H,2H2,1H3,(H,26,27)(H,28,29);2-13H,1H3,(H,25,26)(H,27,28);2-13H,1H3,(H,24,28)(H,26,27)/b13-10+;12-9+;2*11-8+.
What are the key properties of N-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide?
N-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide has a molecular weight of 1741.98 g/mol, XLogP of 20.16, 25 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-fluoro-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methoxy-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;2-fluoro-N'-pyridin-2-yl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzohydrazide is sourced from PubChem (CID 160663581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).