3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

C122H116N16O18S — CID 158021262

IUPAC3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(CO)C(C)C)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12
InChIInChI=1S/C28H26N4O4.C24H21N3O4.C24H27N3O4.C24H21N3O3S.C22H21N3O3/c1-17(33)20-10-6-9-19(15-20)11-13-22-25-23(32-31-22)14-12-21(26(25)36-2)28(35)30-24(27(29)34)16-18-7-4-3-5-8-18;1-15(28)17-6-3-5-16(13-17)8-10-20-22-21(27-26-20)11-9-19(23(22)30-2)24(29)25-14-18-7-4-12-31-18;1-14(2)21(13-28)25-24(30)18-9-11-20-22(23(18)31-4)19(26-27-20)10-8-16-6-5-7-17(12-16)15(3)29;1-15(28)17-6-3-5-16(13-17)8-10-20-22-21(27-26-20)11-9-19(23(22)30-2)24(29)25-14-18-7-4-12-31-18;1-13(26)15-5-3-4-14(12-15)6-10-18-20-19(25-24-18)11-9-17(21(20)28-2)22(27)23-16-7-8-16/h3-15,24H,16H2,1-2H3,(H2,29,34)(H,30,35)(H,31,32);3-13H,14H2,1-2H3,(H,25,29)(H,26,27);5-12,14,21,28H,13H2,1-4H3,(H,25,30)(H,26,27);3-13H,14H2,1-2H3,(H,25,29)(H,26,27);3-6,9-12,16H,7-8H2,1-2H3,(H,23,27)(H,24,25)/b13-11+;3*10-8+;10-6+
InChIKeyFGBXUZWPWLBCOU-TYQXEOGZSA-N
MW2126.43 g/mol
LogP20.70
Rot. Bonds37

About 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 158021262) has the molecular formula C122H116N16O18S and a molecular weight of 2126.43 g/mol. Its IUPAC name is 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
PubChem CID158021262
Molecular FormulaC122H116N16O18S
Molecular Weight2126.43 g/mol
Exact Mass2124.84
IUPAC Name3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(CO)C(C)C)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12
InChIInChI=1S/C28H26N4O4.C24H21N3O4.C24H27N3O4.C24H21N3O3S.C22H21N3O3/c1-17(33)20-10-6-9-19(15-20)11-13-22-25-23(32-31-22)14-12-21(26(25)36-2)28(35)30-24(27(29)34)16-18-7-4-3-5-8-18;1-15(28)17-6-3-5-16(13-17)8-10-20-22-21(27-26-20)11-9-19(23(22)30-2)24(29)25-14-18-7-4-12-31-18;1-14(2)21(13-28)25-24(30)18-9-11-20-22(23(18)31-4)19(26-27-20)10-8-16-6-5-7-17(12-16)15(3)29;1-15(28)17-6-3-5-16(13-17)8-10-20-22-21(27-26-20)11-9-19(23(22)30-2)24(29)25-14-18-7-4-12-31-18;1-13(26)15-5-3-4-14(12-15)6-10-18-20-19(25-24-18)11-9-17(21(20)28-2)22(27)23-16-7-8-16/h3-15,24H,16H2,1-2H3,(H2,29,34)(H,30,35)(H,31,32);3-13H,14H2,1-2H3,(H,25,29)(H,26,27);5-12,14,21,28H,13H2,1-4H3,(H,25,30)(H,26,27);3-13H,14H2,1-2H3,(H,25,29)(H,26,27);3-6,9-12,16H,7-8H2,1-2H3,(H,23,27)(H,24,25)/b13-11+;3*10-8+;10-6+
InChIKeyFGBXUZWPWLBCOU-TYQXEOGZSA-N
XLogP20.70
TPSA496.86 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds37
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002126.43
LogP ≤ 520.70
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide
CID 23589755
3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 23589771
3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide
CID 23589772
N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide
CID 59797392
N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-3-ylethenyl]-1H-indazole-5-carboxamide
CID 60034754
N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide
CID 60034822
3-[(E)-2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide
CID 60035059
3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60053819
N-(furan-2-ylmethyl)-4-methoxy-3-(2-thiophen-2-ylethenyl)-2H-indazole-5-carboxamide
CID 72564640
N-(furan-2-ylmethyl)-4-methoxy-3-(2-thiophen-3-ylethenyl)-1H-indazole-5-carboxamide
CID 72628124
N-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide
CID 72628172
3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide
CID 72628319

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (CID 158021262) is 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is COc1c(C(=O)NC(CO)C(C)C)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.
What is the InChIKey of 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The InChIKey is FGBXUZWPWLBCOU-TYQXEOGZSA-N. The full InChI is InChI=1S/C28H26N4O4.C24H21N3O4.C24H27N3O4.C24H21N3O3S.C22H21N3O3/c1-17(33)20-10-6-9-19(15-20)11-13-22-25-23(32-31-22)14-12-21(26(25)36-2)28(35)30-24(27(29)34)16-18-7-4-3-5-8-18;1-15(28)17-6-3-5-16(13-17)8-10-20-22-21(27-26-20)11-9-19(23(22)30-2)24(29)25-14-18-7-4-12-31-18;1-14(2)21(13-28)25-24(30)18-9-11-20-22(23(18)31-4)19(26-27-20)10-8-16-6-5-7-17(12-16)15(3)29;1-15(28)17-6-3-5-16(13-17)8-10-20-22-21(27-26-20)11-9-19(23(22)30-2)24(29)25-14-18-7-4-12-31-18;1-13(26)15-5-3-4-14(12-15)6-10-18-20-19(25-24-18)11-9-17(21(20)28-2)22(27)23-16-7-8-16/h3-15,24H,16H2,1-2H3,(H2,29,34)(H,30,35)(H,31,32);3-13H,14H2,1-2H3,(H,25,29)(H,26,27);5-12,14,21,28H,13H2,1-4H3,(H,25,30)(H,26,27);3-13H,14H2,1-2H3,(H,25,29)(H,26,27);3-6,9-12,16H,7-8H2,1-2H3,(H,23,27)(H,24,25)/b13-11+;3*10-8+;10-6+.
What are the key properties of 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 2126.43 g/mol, XLogP of 20.70, 37 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 158021262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).