3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide

C96H82N24O15 — CID 157257472

IUPAC3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCCOC(=O)c1ccc2n[nH]c(/C=C/c3cnccn3)c2c1OC.COc1c(C(=O)NCc2cccnc2)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCO4)c12.COc1c(C(=O)NCc2ccoc2)ccc2n[nH]c(/C=C/c3cnccn3)c12.COc1c(C(=O)NCc2cnccn2)ccc2n[nH]c(/C=C/c3cnccn3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3cnccn3)c12
InChIInChI=1S/C24H20N4O4.C20H17N7O2.C20H17N5O3.C17H16N4O3.C15H12N4O3/c1-30-23-17(24(29)26-13-16-3-2-10-25-12-16)6-8-19-22(23)18(27-28-19)7-4-15-5-9-20-21(11-15)32-14-31-20;1-29-19-15(20(28)25-12-14-11-22-7-9-24-14)3-5-17-18(19)16(26-27-17)4-2-13-10-21-6-8-23-13;1-27-19-15(20(26)23-10-13-6-9-28-12-13)3-5-17-18(19)16(24-25-17)4-2-14-11-21-7-8-22-14;1-3-24-17(22)12-5-7-14-15(16(12)23-2)13(20-21-14)6-4-11-10-18-8-9-19-11;1-22-14-10(15(20)21)3-5-12-13(14)11(18-19-12)4-2-9-8-16-6-7-17-9/h2-12H,13-14H2,1H3,(H,26,29)(H,27,28);2-11H,12H2,1H3,(H,25,28)(H,26,27);2-9,11-12H,10H2,1H3,(H,23,26)(H,24,25);4-10H,3H2,1-2H3,(H,20,21);2-8H,1H3,(H,18,19)(H,20,21)/b7-4+;2*4-2+;6-4+;4-2+
InChIKeyAXBDRQYXICTHTD-HPEJXXEUSA-N
MW1811.86 g/mol
LogP14.04
Rot. Bonds27

About 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide

3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 157257472) has the molecular formula C96H82N24O15 and a molecular weight of 1811.86 g/mol. Its IUPAC name is 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide
PubChem CID157257472
Molecular FormulaC96H82N24O15
Molecular Weight1811.86 g/mol
Exact Mass1810.64
IUPAC Name3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCCOC(=O)c1ccc2n[nH]c(/C=C/c3cnccn3)c2c1OC.COc1c(C(=O)NCc2cccnc2)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCO4)c12.COc1c(C(=O)NCc2ccoc2)ccc2n[nH]c(/C=C/c3cnccn3)c12.COc1c(C(=O)NCc2cnccn2)ccc2n[nH]c(/C=C/c3cnccn3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3cnccn3)c12
InChIInChI=1S/C24H20N4O4.C20H17N7O2.C20H17N5O3.C17H16N4O3.C15H12N4O3/c1-30-23-17(24(29)26-13-16-3-2-10-25-12-16)6-8-19-22(23)18(27-28-19)7-4-15-5-9-20-21(11-15)32-14-31-20;1-29-19-15(20(28)25-12-14-11-22-7-9-24-14)3-5-17-18(19)16(26-27-17)4-2-13-10-21-6-8-23-13;1-27-19-15(20(26)23-10-13-6-9-28-12-13)3-5-17-18(19)16(24-25-17)4-2-14-11-21-7-8-22-14;1-3-24-17(22)12-5-7-14-15(16(12)23-2)13(20-21-14)6-4-11-10-18-8-9-19-11;1-22-14-10(15(20)21)3-5-12-13(14)11(18-19-12)4-2-9-8-16-6-7-17-9/h2-12H,13-14H2,1H3,(H,26,29)(H,27,28);2-11H,12H2,1H3,(H,25,28)(H,26,27);2-9,11-12H,10H2,1H3,(H,23,26)(H,24,25);4-10H,3H2,1-2H3,(H,20,21);2-8H,1H3,(H,18,19)(H,20,21)/b7-4+;2*4-2+;6-4+;4-2+
InChIKeyAXBDRQYXICTHTD-HPEJXXEUSA-N
XLogP14.04
TPSA513.84 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms135
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001811.86
LogP ≤ 514.04
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide (CID 157257472) is 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide is CCOC(=O)c1ccc2n[nH]c(/C=C/c3cnccn3)c2c1OC.COc1c(C(=O)NCc2cccnc2)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCO4)c12.COc1c(C(=O)NCc2ccoc2)ccc2n[nH]c(/C=C/c3cnccn3)c12.COc1c(C(=O)NCc2cnccn2)ccc2n[nH]c(/C=C/c3cnccn3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3cnccn3)c12.
What is the InChIKey of 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide?
The InChIKey is AXBDRQYXICTHTD-HPEJXXEUSA-N. The full InChI is InChI=1S/C24H20N4O4.C20H17N7O2.C20H17N5O3.C17H16N4O3.C15H12N4O3/c1-30-23-17(24(29)26-13-16-3-2-10-25-12-16)6-8-19-22(23)18(27-28-19)7-4-15-5-9-20-21(11-15)32-14-31-20;1-29-19-15(20(28)25-12-14-11-22-7-9-24-14)3-5-17-18(19)16(26-27-17)4-2-13-10-21-6-8-23-13;1-27-19-15(20(26)23-10-13-6-9-28-12-13)3-5-17-18(19)16(24-25-17)4-2-14-11-21-7-8-22-14;1-3-24-17(22)12-5-7-14-15(16(12)23-2)13(20-21-14)6-4-11-10-18-8-9-19-11;1-22-14-10(15(20)21)3-5-12-13(14)11(18-19-12)4-2-9-8-16-6-7-17-9/h2-12H,13-14H2,1H3,(H,26,29)(H,27,28);2-11H,12H2,1H3,(H,25,28)(H,26,27);2-9,11-12H,10H2,1H3,(H,23,26)(H,24,25);4-10H,3H2,1-2H3,(H,20,21);2-8H,1H3,(H,18,19)(H,20,21)/b7-4+;2*4-2+;6-4+;4-2+.
What are the key properties of 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide?
3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 1811.86 g/mol, XLogP of 14.04, 27 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 157257472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).