N-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide

C81H67F4N13O8S — CID 160986655

IUPACN-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide
SMILESC#CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OC.COc1c(C(=O)NCC#N)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2ccsc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C22H18FN3O2S.C20H18FN3O2.C20H16FN3O2.C19H15FN4O2/c1-28-21-17(22(27)24-12-15-10-11-29-13-15)7-9-19-20(21)18(25-26-19)8-4-14-2-5-16(23)6-3-14;2*1-3-12-22-20(25)15-9-11-17-18(19(15)26-2)16(23-24-17)10-6-13-4-7-14(21)8-5-13;1-26-18-14(19(25)22-11-10-21)7-9-16-17(18)15(23-24-16)8-4-12-2-5-13(20)6-3-12/h2-11,13H,12H2,1H3,(H,24,27)(H,25,26);3-11H,1,12H2,2H3,(H,22,25)(H,23,24);1,4-11H,12H2,2H3,(H,22,25)(H,23,24);2-9H,11H2,1H3,(H,22,25)(H,23,24)/b8-4+;2*10-6+;8-4+
InChIKeyTUBJHWAMERWHLP-NQOJCMJBSA-N
MW1458.57 g/mol
LogP15.05
Rot. Bonds22

About N-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide

N-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 160986655) has the molecular formula C81H67F4N13O8S and a molecular weight of 1458.57 g/mol. Its IUPAC name is N-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide
PubChem CID160986655
Molecular FormulaC81H67F4N13O8S
Molecular Weight1458.57 g/mol
Exact Mass1457.49
IUPAC NameN-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide
SMILESC#CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OC.COc1c(C(=O)NCC#N)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2ccsc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C22H18FN3O2S.C20H18FN3O2.C20H16FN3O2.C19H15FN4O2/c1-28-21-17(22(27)24-12-15-10-11-29-13-15)7-9-19-20(21)18(25-26-19)8-4-14-2-5-16(23)6-3-14;2*1-3-12-22-20(25)15-9-11-17-18(19(15)26-2)16(23-24-17)10-6-13-4-7-14(21)8-5-13;1-26-18-14(19(25)22-11-10-21)7-9-16-17(18)15(23-24-16)8-4-12-2-5-13(20)6-3-12/h2-11,13H,12H2,1H3,(H,24,27)(H,25,26);3-11H,1,12H2,2H3,(H,22,25)(H,23,24);1,4-11H,12H2,2H3,(H,22,25)(H,23,24);2-9H,11H2,1H3,(H,22,25)(H,23,24)/b8-4+;2*10-6+;8-4+
InChIKeyTUBJHWAMERWHLP-NQOJCMJBSA-N
XLogP15.05
TPSA291.83 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001458.57
LogP ≤ 515.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide with MolForge

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Related Compounds

3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 60034708
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034772
3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034781
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide
CID 60034797
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034805
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide
CID 60034984
3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide
CID 60035030
3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60053843
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 72628095
3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72628136
3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72628143
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide
CID 72628155

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide?
The IUPAC name of N-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide (CID 160986655) is N-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for N-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide is C#CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OC.COc1c(C(=O)NCC#N)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2ccsc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.
What is the InChIKey of N-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide?
The InChIKey is TUBJHWAMERWHLP-NQOJCMJBSA-N. The full InChI is InChI=1S/C22H18FN3O2S.C20H18FN3O2.C20H16FN3O2.C19H15FN4O2/c1-28-21-17(22(27)24-12-15-10-11-29-13-15)7-9-19-20(21)18(25-26-19)8-4-14-2-5-16(23)6-3-14;2*1-3-12-22-20(25)15-9-11-17-18(19(15)26-2)16(23-24-17)10-6-13-4-7-14(21)8-5-13;1-26-18-14(19(25)22-11-10-21)7-9-16-17(18)15(23-24-16)8-4-12-2-5-13(20)6-3-12/h2-11,13H,12H2,1H3,(H,24,27)(H,25,26);3-11H,1,12H2,2H3,(H,22,25)(H,23,24);1,4-11H,12H2,2H3,(H,22,25)(H,23,24);2-9H,11H2,1H3,(H,22,25)(H,23,24)/b8-4+;2*10-6+;8-4+.
What are the key properties of N-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide?
N-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 1458.57 g/mol, XLogP of 15.05, 22 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-prop-2-ynyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 160986655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).