N-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide

C101H88F7N17O13 — CID 161008489

IUPACN-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide
SMILESC=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)c(F)c3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)c(OC)c3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)c(F)c3)c2c1OC.COc1c(C(=O)NCC#N)ccc2n[nH]c(/C=C/c3ccc(F)c(F)c3)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)cc1F
InChIInChI=1S/2C21H20FN3O3.C20H17F2N3O2.C20H17FN4O3.C19H14F2N4O2/c1-4-11-23-21(26)14-7-9-17-19(20(14)28-3)16(24-25-17)8-5-13-6-10-18(27-2)15(22)12-13;1-4-11-23-21(26)14-7-10-17-19(20(14)28-3)16(24-25-17)9-6-13-5-8-15(22)18(12-13)27-2;1-3-10-23-20(26)13-6-9-17-18(19(13)27-2)16(24-25-17)8-5-12-4-7-14(21)15(22)11-12;1-27-17-8-4-12(11-14(17)21)3-6-15-18-16(25-24-15)7-5-13(19(18)28-2)20(26)23-10-9-22;1-27-18-12(19(26)23-9-8-22)4-7-16-17(18)15(24-25-16)6-3-11-2-5-13(20)14(21)10-11/h2*4-10,12H,1,11H2,2-3H3,(H,23,26)(H,24,25);3-9,11H,1,10H2,2H3,(H,23,26)(H,24,25);3-8,11H,10H2,1-2H3,(H,23,26)(H,24,25);2-7,10H,9H2,1H3,(H,23,26)(H,24,25)/b8-5+;9-6+;8-5+;2*6-3+
InChIKeyTWUYOYZERVNVOI-MFKSVKFWSA-N
MW1880.91 g/mol
LogP17.96
Rot. Bonds31

About N-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide

N-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide (PubChem CID 161008489) has the molecular formula C101H88F7N17O13 and a molecular weight of 1880.91 g/mol. Its IUPAC name is N-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide
PubChem CID161008489
Molecular FormulaC101H88F7N17O13
Molecular Weight1880.91 g/mol
Exact Mass1879.66
IUPAC NameN-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide
SMILESC=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)c(F)c3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)c(OC)c3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)c(F)c3)c2c1OC.COc1c(C(=O)NCC#N)ccc2n[nH]c(/C=C/c3ccc(F)c(F)c3)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)cc1F
InChIInChI=1S/2C21H20FN3O3.C20H17F2N3O2.C20H17FN4O3.C19H14F2N4O2/c1-4-11-23-21(26)14-7-9-17-19(20(14)28-3)16(24-25-17)8-5-13-6-10-18(27-2)15(22)12-13;1-4-11-23-21(26)14-7-10-17-19(20(14)28-3)16(24-25-17)9-6-13-5-8-15(22)18(12-13)27-2;1-3-10-23-20(26)13-6-9-17-18(19(13)27-2)16(24-25-17)8-5-12-4-7-14(21)15(22)11-12;1-27-17-8-4-12(11-14(17)21)3-6-15-18-16(25-24-15)7-5-13(19(18)28-2)20(26)23-10-9-22;1-27-18-12(19(26)23-9-8-22)4-7-16-17(18)15(24-25-16)6-3-11-2-5-13(20)14(21)10-11/h2*4-10,12H,1,11H2,2-3H3,(H,23,26)(H,24,25);3-9,11H,1,10H2,2H3,(H,23,26)(H,24,25);3-8,11H,10H2,1-2H3,(H,23,26)(H,24,25);2-7,10H,9H2,1H3,(H,23,26)(H,24,25)/b8-5+;9-6+;8-5+;2*6-3+
InChIKeyTWUYOYZERVNVOI-MFKSVKFWSA-N
XLogP17.96
TPSA410.32 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001880.91
LogP ≤ 517.96
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

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-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide?
The IUPAC name of N-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide (CID 161008489) is N-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide?
The canonical SMILES for N-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide is C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)c(F)c3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)c(OC)c3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)c(F)c3)c2c1OC.COc1c(C(=O)NCC#N)ccc2n[nH]c(/C=C/c3ccc(F)c(F)c3)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)cc1F.
What is the InChIKey of N-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide?
The InChIKey is TWUYOYZERVNVOI-MFKSVKFWSA-N. The full InChI is InChI=1S/2C21H20FN3O3.C20H17F2N3O2.C20H17FN4O3.C19H14F2N4O2/c1-4-11-23-21(26)14-7-9-17-19(20(14)28-3)16(24-25-17)8-5-13-6-10-18(27-2)15(22)12-13;1-4-11-23-21(26)14-7-10-17-19(20(14)28-3)16(24-25-17)9-6-13-5-8-15(22)18(12-13)27-2;1-3-10-23-20(26)13-6-9-17-18(19(13)27-2)16(24-25-17)8-5-12-4-7-14(21)15(22)11-12;1-27-17-8-4-12(11-14(17)21)3-6-15-18-16(25-24-15)7-5-13(19(18)28-2)20(26)23-10-9-22;1-27-18-12(19(26)23-9-8-22)4-7-16-17(18)15(24-25-16)6-3-11-2-5-13(20)14(21)10-11/h2*4-10,12H,1,11H2,2-3H3,(H,23,26)(H,24,25);3-9,11H,1,10H2,2H3,(H,23,26)(H,24,25);3-8,11H,10H2,1-2H3,(H,23,26)(H,24,25);2-7,10H,9H2,1H3,(H,23,26)(H,24,25)/b8-5+;9-6+;8-5+;2*6-3+.
What are the key properties of N-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide?
N-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide has a molecular weight of 1880.91 g/mol, XLogP of 17.96, 31 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 161008489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).