N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide

C85H81N15O15 — CID 159884565

IUPACN-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide
SMILESC=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)cc3)c2c1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)cc1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ncco4)c(OC)c23)cc1OC
InChIInChI=1S/C23H22N4O5.C21H20N4O4.C21H21N3O3.C20H18N4O3/c1-29-18-9-5-14(12-19(18)30-2)4-7-16-21-17(27-26-16)8-6-15(22(21)31-3)23(28)25-13-20-24-10-11-32-20;1-27-17-9-5-13(12-18(17)28-2)4-7-15-19-16(25-24-15)8-6-14(20(19)29-3)21(26)23-11-10-22;1-4-13-22-21(25)16-10-12-18-19(20(16)27-3)17(23-24-18)11-7-14-5-8-15(26-2)9-6-14;1-26-14-6-3-13(4-7-14)5-9-16-18-17(24-23-16)10-8-15(19(18)27-2)20(25)22-12-11-21/h4-12H,13H2,1-3H3,(H,25,28)(H,26,27);4-9,12H,11H2,1-3H3,(H,23,26)(H,24,25);4-12H,1,13H2,2-3H3,(H,22,25)(H,23,24);3-10H,12H2,1-2H3,(H,22,25)(H,23,24)/b2*7-4+;11-7+;9-5+
InChIKeyNTYRLYKSWCWLAD-QKIDYGKISA-N
MW1552.67 g/mol
LogP13.36
Rot. Bonds28

About N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide

N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide (PubChem CID 159884565) has the molecular formula C85H81N15O15 and a molecular weight of 1552.67 g/mol. Its IUPAC name is N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide
PubChem CID159884565
Molecular FormulaC85H81N15O15
Molecular Weight1552.67 g/mol
Exact Mass1551.60
IUPAC NameN-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide
SMILESC=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)cc3)c2c1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)cc1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ncco4)c(OC)c23)cc1OC
InChIInChI=1S/C23H22N4O5.C21H20N4O4.C21H21N3O3.C20H18N4O3/c1-29-18-9-5-14(12-19(18)30-2)4-7-16-21-17(27-26-16)8-6-15(22(21)31-3)23(28)25-13-20-24-10-11-32-20;1-27-17-9-5-13(12-18(17)28-2)4-7-15-19-16(25-24-15)8-6-14(20(19)29-3)21(26)23-11-10-22;1-4-13-22-21(25)16-10-12-18-19(20(16)27-3)17(23-24-18)11-7-14-5-8-15(26-2)9-6-14;1-26-14-6-3-13(4-7-14)5-9-16-18-17(24-23-16)10-8-15(19(18)27-2)20(25)22-12-11-21/h4-12H,13H2,1-3H3,(H,25,28)(H,26,27);4-9,12H,11H2,1-3H3,(H,23,26)(H,24,25);4-12H,1,13H2,2-3H3,(H,22,25)(H,23,24);3-10H,12H2,1-2H3,(H,22,25)(H,23,24)/b2*7-4+;11-7+;9-5+
InChIKeyNTYRLYKSWCWLAD-QKIDYGKISA-N
XLogP13.36
TPSA397.03 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001552.67
LogP ≤ 513.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide with MolForge

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Related Compounds

3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034600
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034837
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034840
3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72628020
3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72628038
3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72628147
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72628180
3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72628183
3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide
CID 136004320
3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide
CID 136004331
3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide
CID 136004402
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide
CID 136004421

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide?
The IUPAC name of N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide (CID 159884565) is N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide?
The canonical SMILES for N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide is C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)cc3)c2c1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)cc1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ncco4)c(OC)c23)cc1OC.
What is the InChIKey of N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide?
The InChIKey is NTYRLYKSWCWLAD-QKIDYGKISA-N. The full InChI is InChI=1S/C23H22N4O5.C21H20N4O4.C21H21N3O3.C20H18N4O3/c1-29-18-9-5-14(12-19(18)30-2)4-7-16-21-17(27-26-16)8-6-15(22(21)31-3)23(28)25-13-20-24-10-11-32-20;1-27-17-9-5-13(12-18(17)28-2)4-7-15-19-16(25-24-15)8-6-14(20(19)29-3)21(26)23-11-10-22;1-4-13-22-21(25)16-10-12-18-19(20(16)27-3)17(23-24-18)11-7-14-5-8-15(26-2)9-6-14;1-26-14-6-3-13(4-7-14)5-9-16-18-17(24-23-16)10-8-15(19(18)27-2)20(25)22-12-11-21/h4-12H,13H2,1-3H3,(H,25,28)(H,26,27);4-9,12H,11H2,1-3H3,(H,23,26)(H,24,25);4-12H,1,13H2,2-3H3,(H,22,25)(H,23,24);3-10H,12H2,1-2H3,(H,22,25)(H,23,24)/b2*7-4+;11-7+;9-5+.
What are the key properties of N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide?
N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide has a molecular weight of 1552.67 g/mol, XLogP of 13.36, 28 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 159884565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).