2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one

C117H105N19O4 — CID 161232760

IUPAC2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one
SMILESC(=C/c1n[nH]c2ccccc12)\c1cccnc1.CC(=O)Cc1ccc2n[nH]c(/C=C/c3cccnc3)c2c1.CCCCC(=O)Cc1ccc2n[nH]c(/C=C/c3cccnc3)c2c1.CN(C)CCc1ccc(/C=C/c2n[nH]c3ccccc23)cc1.O=C(Cc1ccc2n[nH]c(/C=C/c3cccnc3)c2c1)Cc1c[nH]c2ccccc12.O=C(Cc1ccc2n[nH]c(/C=C/c3cccnc3)c2c1)c1ccccc1
InChIInChI=1S/C25H20N4O.C22H17N3O.C20H21N3O.C19H21N3.C17H15N3O.C14H11N3/c30-20(14-19-16-27-23-6-2-1-5-21(19)23)12-18-8-10-25-22(13-18)24(28-29-25)9-7-17-4-3-11-26-15-17;26-22(18-6-2-1-3-7-18)14-17-9-11-21-19(13-17)20(24-25-21)10-8-16-5-4-12-23-15-16;1-2-3-6-17(24)12-16-8-10-20-18(13-16)19(22-23-20)9-7-15-5-4-11-21-14-15;1-22(2)14-13-16-9-7-15(8-10-16)11-12-19-17-5-3-4-6-18(17)20-21-19;1-12(21)9-14-5-7-17-15(10-14)16(19-20-17)6-4-13-3-2-8-18-11-13;1-2-6-13-12(5-1)14(17-16-13)8-7-11-4-3-9-15-10-11/h1-11,13,15-16,27H,12,14H2,(H,28,29);1-13,15H,14H2,(H,24,25);4-5,7-11,13-14H,2-3,6,12H2,1H3,(H,22,23);3-12H,13-14H2,1-2H3,(H,20,21);2-8,10-11H,9H2,1H3,(H,19,20);1-10H,(H,16,17)/b9-7+;10-8+;9-7+;12-11+;6-4+;8-7+
InChIKeyUYYYFDNLSGAYMD-FZNIWRNTSA-N
MW1841.26 g/mol
LogP24.17
Rot. Bonds29

About 2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one

2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one (PubChem CID 161232760) has the molecular formula C117H105N19O4 and a molecular weight of 1841.26 g/mol. Its IUPAC name is 2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one.

Molecular Properties

Compound Name2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one
PubChem CID161232760
Molecular FormulaC117H105N19O4
Molecular Weight1841.26 g/mol
Exact Mass1839.86
IUPAC Name2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one
SMILESC(=C/c1n[nH]c2ccccc12)\c1cccnc1.CC(=O)Cc1ccc2n[nH]c(/C=C/c3cccnc3)c2c1.CCCCC(=O)Cc1ccc2n[nH]c(/C=C/c3cccnc3)c2c1.CN(C)CCc1ccc(/C=C/c2n[nH]c3ccccc23)cc1.O=C(Cc1ccc2n[nH]c(/C=C/c3cccnc3)c2c1)Cc1c[nH]c2ccccc12.O=C(Cc1ccc2n[nH]c(/C=C/c3cccnc3)c2c1)c1ccccc1
InChIInChI=1S/C25H20N4O.C22H17N3O.C20H21N3O.C19H21N3.C17H15N3O.C14H11N3/c30-20(14-19-16-27-23-6-2-1-5-21(19)23)12-18-8-10-25-22(13-18)24(28-29-25)9-7-17-4-3-11-26-15-17;26-22(18-6-2-1-3-7-18)14-17-9-11-21-19(13-17)20(24-25-21)10-8-16-5-4-12-23-15-16;1-2-3-6-17(24)12-16-8-10-20-18(13-16)19(22-23-20)9-7-15-5-4-11-21-14-15;1-22(2)14-13-16-9-7-15(8-10-16)11-12-19-17-5-3-4-6-18(17)20-21-19;1-12(21)9-14-5-7-17-15(10-14)16(19-20-17)6-4-13-3-2-8-18-11-13;1-2-6-13-12(5-1)14(17-16-13)8-7-11-4-3-9-15-10-11/h1-11,13,15-16,27H,12,14H2,(H,28,29);1-13,15H,14H2,(H,24,25);4-5,7-11,13-14H,2-3,6,12H2,1H3,(H,22,23);3-12H,13-14H2,1-2H3,(H,20,21);2-8,10-11H,9H2,1H3,(H,19,20);1-10H,(H,16,17)/b9-7+;10-8+;9-7+;12-11+;6-4+;8-7+
InChIKeyUYYYFDNLSGAYMD-FZNIWRNTSA-N
XLogP24.17
TPSA323.84 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001841.26
LogP ≤ 524.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one?
The IUPAC name of 2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one (CID 161232760) is 2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one.
What is the SMILES notation for 2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one?
The canonical SMILES for 2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one is C(=C/c1n[nH]c2ccccc12)\c1cccnc1.CC(=O)Cc1ccc2n[nH]c(/C=C/c3cccnc3)c2c1.CCCCC(=O)Cc1ccc2n[nH]c(/C=C/c3cccnc3)c2c1.CN(C)CCc1ccc(/C=C/c2n[nH]c3ccccc23)cc1.O=C(Cc1ccc2n[nH]c(/C=C/c3cccnc3)c2c1)Cc1c[nH]c2ccccc12.O=C(Cc1ccc2n[nH]c(/C=C/c3cccnc3)c2c1)c1ccccc1.
What is the InChIKey of 2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one?
The InChIKey is UYYYFDNLSGAYMD-FZNIWRNTSA-N. The full InChI is InChI=1S/C25H20N4O.C22H17N3O.C20H21N3O.C19H21N3.C17H15N3O.C14H11N3/c30-20(14-19-16-27-23-6-2-1-5-21(19)23)12-18-8-10-25-22(13-18)24(28-29-25)9-7-17-4-3-11-26-15-17;26-22(18-6-2-1-3-7-18)14-17-9-11-21-19(13-17)20(24-25-21)10-8-16-5-4-12-23-15-16;1-2-3-6-17(24)12-16-8-10-20-18(13-16)19(22-23-20)9-7-15-5-4-11-21-14-15;1-22(2)14-13-16-9-7-15(8-10-16)11-12-19-17-5-3-4-6-18(17)20-21-19;1-12(21)9-14-5-7-17-15(10-14)16(19-20-17)6-4-13-3-2-8-18-11-13;1-2-6-13-12(5-1)14(17-16-13)8-7-11-4-3-9-15-10-11/h1-11,13,15-16,27H,12,14H2,(H,28,29);1-13,15H,14H2,(H,24,25);4-5,7-11,13-14H,2-3,6,12H2,1H3,(H,22,23);3-12H,13-14H2,1-2H3,(H,20,21);2-8,10-11H,9H2,1H3,(H,19,20);1-10H,(H,16,17)/b9-7+;10-8+;9-7+;12-11+;6-4+;8-7+.
What are the key properties of 2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one?
2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one has a molecular weight of 1841.26 g/mol, XLogP of 24.17, 29 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]ethanone;3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]propan-2-one is sourced from PubChem (CID 161232760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).