N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

C95H94N14O17S — CID 160930199

IUPACN-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC4CC4)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cccs4)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccoc4)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cnccn4)c(OC)c23)cc1OC
InChIInChI=1S/C24H23N5O4.C24H23N3O5.C24H23N3O4S.C23H25N3O4/c1-31-20-9-5-15(12-21(20)32-2)4-7-18-22-19(29-28-18)8-6-17(23(22)33-3)24(30)27-14-16-13-25-10-11-26-16;1-29-20-9-5-15(12-21(20)30-2)4-7-18-22-19(27-26-18)8-6-17(23(22)31-3)24(28)25-13-16-10-11-32-14-16;1-29-20-11-7-15(13-21(20)30-2)6-9-18-22-19(27-26-18)10-8-17(23(22)31-3)24(28)25-14-16-5-4-12-32-16;1-28-19-11-7-14(12-20(19)29-2)6-9-17-21-18(26-25-17)10-8-16(22(21)30-3)23(27)24-13-15-4-5-15/h4-13H,14H2,1-3H3,(H,27,30)(H,28,29);4-12,14H,13H2,1-3H3,(H,25,28)(H,26,27);4-13H,14H2,1-3H3,(H,25,28)(H,26,27);6-12,15H,4-5,13H2,1-3H3,(H,24,27)(H,25,26)/b2*7-4+;2*9-6+
InChIKeySTDWLQPAZZCZRM-AWDIHUABSA-N
MW1735.94 g/mol
LogP16.41
Rot. Bonds32

About N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 160930199) has the molecular formula C95H94N14O17S and a molecular weight of 1735.94 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
PubChem CID160930199
Molecular FormulaC95H94N14O17S
Molecular Weight1735.94 g/mol
Exact Mass1734.66
IUPAC NameN-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC4CC4)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cccs4)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccoc4)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cnccn4)c(OC)c23)cc1OC
InChIInChI=1S/C24H23N5O4.C24H23N3O5.C24H23N3O4S.C23H25N3O4/c1-31-20-9-5-15(12-21(20)32-2)4-7-18-22-19(29-28-18)8-6-17(23(22)33-3)24(30)27-14-16-13-25-10-11-26-16;1-29-20-9-5-15(12-21(20)30-2)4-7-18-22-19(27-26-18)8-6-17(23(22)31-3)24(28)25-13-16-10-11-32-14-16;1-29-20-11-7-15(13-21(20)30-2)6-9-18-22-19(27-26-18)10-8-17(23(22)31-3)24(28)25-14-16-5-4-12-32-16;1-28-19-11-7-14(12-20(19)29-2)6-9-17-21-18(26-25-17)10-8-16(22(21)30-3)23(27)24-13-15-4-5-15/h4-13H,14H2,1-3H3,(H,27,30)(H,28,29);4-12,14H,13H2,1-3H3,(H,25,28)(H,26,27);4-13H,14H2,1-3H3,(H,25,28)(H,26,27);6-12,15H,4-5,13H2,1-3H3,(H,24,27)(H,25,26)/b2*7-4+;2*9-6+
InChIKeySTDWLQPAZZCZRM-AWDIHUABSA-N
XLogP16.41
TPSA380.80 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms127
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001735.94
LogP ≤ 516.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (CID 160930199) is N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC4CC4)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cccs4)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccoc4)c(OC)c23)cc1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cnccn4)c(OC)c23)cc1OC.
What is the InChIKey of N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The InChIKey is STDWLQPAZZCZRM-AWDIHUABSA-N. The full InChI is InChI=1S/C24H23N5O4.C24H23N3O5.C24H23N3O4S.C23H25N3O4/c1-31-20-9-5-15(12-21(20)32-2)4-7-18-22-19(29-28-18)8-6-17(23(22)33-3)24(30)27-14-16-13-25-10-11-26-16;1-29-20-9-5-15(12-21(20)30-2)4-7-18-22-19(27-26-18)8-6-17(23(22)31-3)24(28)25-13-16-10-11-32-14-16;1-29-20-11-7-15(13-21(20)30-2)6-9-18-22-19(27-26-18)10-8-17(23(22)31-3)24(28)25-14-16-5-4-12-32-16;1-28-19-11-7-14(12-20(19)29-2)6-9-17-21-18(26-25-17)10-8-16(22(21)30-3)23(27)24-13-15-4-5-15/h4-13H,14H2,1-3H3,(H,27,30)(H,28,29);4-12,14H,13H2,1-3H3,(H,25,28)(H,26,27);4-13H,14H2,1-3H3,(H,25,28)(H,26,27);6-12,15H,4-5,13H2,1-3H3,(H,24,27)(H,25,26)/b2*7-4+;2*9-6+.
What are the key properties of N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 1735.94 g/mol, XLogP of 16.41, 32 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 160930199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).