3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide

C84H83FN10O16 — CID 162189954

IUPAC3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide
SMILESCCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)cc3)c2c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c2c1OC.COc1c(C(=O)NCC(O)CN2CCOCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12
InChIInChI=1S/C24H27FN4O4.C21H20N2O4.C20H20N2O4.C19H16N2O4/c1-32-23-19(24(31)26-14-18(30)15-29-10-12-33-13-11-29)7-9-21-22(23)20(27-28-21)8-4-16-2-5-17(25)6-3-16;1-3-26-21(24)15-6-8-17-19(20(15)25-2)16(22-23-17)7-4-13-5-9-18-14(12-13)10-11-27-18;1-4-26-20(23)15-10-12-17-18(19(15)25-3)16(21-22-17)11-7-13-5-8-14(24-2)9-6-13;1-24-18-13(19(22)23)4-6-15-17(18)14(20-21-15)5-2-11-3-7-16-12(10-11)8-9-25-16/h2-9,18,30H,10-15H2,1H3,(H,26,31)(H,27,28);4-9,12H,3,10-11H2,1-2H3,(H,22,23);5-12H,4H2,1-3H3,(H,21,22);2-7,10H,8-9H2,1H3,(H,20,21)(H,22,23)/b8-4+;7-4+;11-7+;5-2+
InChIKeyZQDXPJMGEQEXSH-OLZNDBOVSA-N
MW1507.64 g/mol
LogP13.46
Rot. Bonds23

About 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide

3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide (PubChem CID 162189954) has the molecular formula C84H83FN10O16 and a molecular weight of 1507.64 g/mol. Its IUPAC name is 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide
PubChem CID162189954
Molecular FormulaC84H83FN10O16
Molecular Weight1507.64 g/mol
Exact Mass1506.60
IUPAC Name3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide
SMILESCCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)cc3)c2c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c2c1OC.COc1c(C(=O)NCC(O)CN2CCOCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12
InChIInChI=1S/C24H27FN4O4.C21H20N2O4.C20H20N2O4.C19H16N2O4/c1-32-23-19(24(31)26-14-18(30)15-29-10-12-33-13-11-29)7-9-21-22(23)20(27-28-21)8-4-16-2-5-17(25)6-3-16;1-3-26-21(24)15-6-8-17-19(20(15)25-2)16(22-23-17)7-4-13-5-9-18-14(12-13)10-11-27-18;1-4-26-20(23)15-10-12-17-18(19(15)25-3)16(21-22-17)11-7-13-5-8-14(24-2)9-6-13;1-24-18-13(19(22)23)4-6-15-17(18)14(20-21-15)5-2-11-3-7-16-12(10-11)8-9-25-16/h2-9,18,30H,10-15H2,1H3,(H,26,31)(H,27,28);4-9,12H,3,10-11H2,1-2H3,(H,22,23);5-12H,4H2,1-3H3,(H,21,22);2-7,10H,8-9H2,1H3,(H,20,21)(H,22,23)/b8-4+;7-4+;11-7+;5-2+
InChIKeyZQDXPJMGEQEXSH-OLZNDBOVSA-N
XLogP13.46
TPSA331.03 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001507.64
LogP ≤ 513.46
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide with MolForge

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Related Compounds

N-[2-(butylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 173122785
2-(4-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 112799485
3-[2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136651581
3-[(E)-2-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-N-[2-hydroxy-3-(2-propoxyethylamino)propyl]-4-methoxy-2H-indazole-5-carboxamide
CID 163983239
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 42939291
3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide
CID 135987991
N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 161181995
methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate
CID 173122685
N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112818170
3-[2-(4-fluorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628047
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136601640
6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
CID 126839955

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide (CID 162189954) is 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide is CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)cc3)c2c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c2c1OC.COc1c(C(=O)NCC(O)CN2CCOCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.
What is the InChIKey of 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide?
The InChIKey is ZQDXPJMGEQEXSH-OLZNDBOVSA-N. The full InChI is InChI=1S/C24H27FN4O4.C21H20N2O4.C20H20N2O4.C19H16N2O4/c1-32-23-19(24(31)26-14-18(30)15-29-10-12-33-13-11-29)7-9-21-22(23)20(27-28-21)8-4-16-2-5-17(25)6-3-16;1-3-26-21(24)15-6-8-17-19(20(15)25-2)16(22-23-17)7-4-13-5-9-18-14(12-13)10-11-27-18;1-4-26-20(23)15-10-12-17-18(19(15)25-3)16(21-22-17)11-7-13-5-8-14(24-2)9-6-13;1-24-18-13(19(22)23)4-6-15-17(18)14(20-21-15)5-2-11-3-7-16-12(10-11)8-9-25-16/h2-9,18,30H,10-15H2,1H3,(H,26,31)(H,27,28);4-9,12H,3,10-11H2,1-2H3,(H,22,23);5-12H,4H2,1-3H3,(H,21,22);2-7,10H,8-9H2,1H3,(H,20,21)(H,22,23)/b8-4+;7-4+;11-7+;5-2+.
What are the key properties of 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide?
3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide has a molecular weight of 1507.64 g/mol, XLogP of 13.46, 23 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide is sourced from PubChem (CID 162189954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).