N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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

C104H95F4N17O15 — CID 160696488

IUPACN-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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(OC)c3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)c(F)c3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c2c1OC.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)ccc1F.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)cc1F
InChIInChI=1S/C22H21N3O3.2C21H20FN3O3.2C20H17FN4O3/c1-3-11-23-22(26)16-6-8-18-20(21(16)27-2)17(24-25-18)7-4-14-5-9-19-15(13-14)10-12-28-19;1-4-11-23-21(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;1-27-17-8-4-12(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;1-27-17-11-12(3-6-14(17)21)4-7-15-18-16(25-24-15)8-5-13(19(18)28-2)20(26)23-10-9-22/h3-9,13H,1,10-12H2,2H3,(H,23,26)(H,24,25);2*4-10,12H,1,11H2,2-3H3,(H,23,26)(H,24,25);2*3-8,11H,10H2,1-2H3,(H,23,26)(H,24,25)/b7-4+;8-5+;9-6+;6-3+;7-4+
InChIKeyRQBGSRQKEJJASY-VRKYCBDSSA-N
MW1899.00 g/mol
LogP17.49
Rot. Bonds32

About N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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 160696488) has the molecular formula C104H95F4N17O15 and a molecular weight of 1899.00 g/mol. Its IUPAC name is N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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 CID160696488
Molecular FormulaC104H95F4N17O15
Molecular Weight1899.00 g/mol
Exact Mass1897.71
IUPAC NameN-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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(OC)c3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)c(F)c3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c2c1OC.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)ccc1F.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)cc1F
InChIInChI=1S/C22H21N3O3.2C21H20FN3O3.2C20H17FN4O3/c1-3-11-23-22(26)16-6-8-18-20(21(16)27-2)17(24-25-18)7-4-14-5-9-19-15(13-14)10-12-28-19;1-4-11-23-21(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;1-27-17-8-4-12(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;1-27-17-11-12(3-6-14(17)21)4-7-15-18-16(25-24-15)8-5-13(19(18)28-2)20(26)23-10-9-22/h3-9,13H,1,10-12H2,2H3,(H,23,26)(H,24,25);2*4-10,12H,1,11H2,2-3H3,(H,23,26)(H,24,25);2*3-8,11H,10H2,1-2H3,(H,23,26)(H,24,25)/b7-4+;8-5+;9-6+;6-3+;7-4+
InChIKeyRQBGSRQKEJJASY-VRKYCBDSSA-N
XLogP17.49
TPSA428.78 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001899.00
LogP ≤ 517.49
H-Bond Donors ≤ 510
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-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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 160696488) is N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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(OC)c3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)c(F)c3)c2c1OC.C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c2c1OC.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)ccc1F.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-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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 RQBGSRQKEJJASY-VRKYCBDSSA-N. The full InChI is InChI=1S/C22H21N3O3.2C21H20FN3O3.2C20H17FN4O3/c1-3-11-23-22(26)16-6-8-18-20(21(16)27-2)17(24-25-18)7-4-14-5-9-19-15(13-14)10-12-28-19;1-4-11-23-21(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;1-27-17-8-4-12(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;1-27-17-11-12(3-6-14(17)21)4-7-15-18-16(25-24-15)8-5-13(19(18)28-2)20(26)23-10-9-22/h3-9,13H,1,10-12H2,2H3,(H,23,26)(H,24,25);2*4-10,12H,1,11H2,2-3H3,(H,23,26)(H,24,25);2*3-8,11H,10H2,1-2H3,(H,23,26)(H,24,25)/b7-4+;8-5+;9-6+;6-3+;7-4+.
What are the key properties of N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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 1899.00 g/mol, XLogP of 17.49, 32 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyanomethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)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 160696488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).