N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

C104H81F5N16O18S — CID 160713220

IUPACN-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)C1CC1.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)[C@@H]1C[C@@H](O)CN1.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)c1ccco1
InChIInChI=1S/C22H16FN3O3S.C21H19FN4O4.C21H14FN3O4.C20H16FN3O4.C20H16FN3O3/c23-16-11-18-15(10-19(16)24-22(27)9-14-2-1-7-30-14)17(25-26-18)5-3-13-4-6-20-21(8-13)29-12-28-20;22-14-8-16-13(7-17(14)24-21(28)18-6-12(27)9-23-18)15(25-26-16)3-1-11-2-4-19-20(5-11)30-10-29-19;22-14-10-16-13(9-17(14)23-21(26)19-2-1-7-27-19)15(24-25-16)5-3-12-4-6-18-20(8-12)29-11-28-18;21-13-9-15-12(8-16(13)22-19(25)20(26)5-6-20)14(23-24-15)3-1-11-2-4-17-18(7-11)28-10-27-17;21-14-9-16-13(8-17(14)22-20(25)12-3-4-12)15(23-24-16)5-1-11-2-6-18-19(7-11)27-10-26-18/h1-8,10-11H,9,12H2,(H,24,27)(H,25,26);1-5,7-8,12,18,23,27H,6,9-10H2,(H,24,28)(H,25,26);1-10H,11H2,(H,23,26)(H,24,25);1-4,7-9,26H,5-6,10H2,(H,22,25)(H,23,24);1-2,5-9,12H,3-4,10H2,(H,22,25)(H,23,24)/b5-3+;3-1+;5-3+;3-1+;5-1+/t;12-,18+;;;/m.1.../s1
InChIKeyRSDAICZFEBOLQQ-SFMGIUJLSA-N
MW1969.94 g/mol
LogP18.57
Rot. Bonds21

About N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 160713220) has the molecular formula C104H81F5N16O18S and a molecular weight of 1969.94 g/mol. Its IUPAC name is N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
PubChem CID160713220
Molecular FormulaC104H81F5N16O18S
Molecular Weight1969.94 g/mol
Exact Mass1968.56
IUPAC NameN-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)C1CC1.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)[C@@H]1C[C@@H](O)CN1.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)c1ccco1
InChIInChI=1S/C22H16FN3O3S.C21H19FN4O4.C21H14FN3O4.C20H16FN3O4.C20H16FN3O3/c23-16-11-18-15(10-19(16)24-22(27)9-14-2-1-7-30-14)17(25-26-18)5-3-13-4-6-20-21(8-13)29-12-28-20;22-14-8-16-13(7-17(14)24-21(28)18-6-12(27)9-23-18)15(25-26-16)3-1-11-2-4-19-20(5-11)30-10-29-19;22-14-10-16-13(9-17(14)23-21(26)19-2-1-7-27-19)15(24-25-16)5-3-12-4-6-18-20(8-12)29-11-28-18;21-13-9-15-12(8-16(13)22-19(25)20(26)5-6-20)14(23-24-15)3-1-11-2-4-17-18(7-11)28-10-27-17;21-14-9-16-13(8-17(14)22-20(25)12-3-4-12)15(23-24-16)5-1-11-2-6-18-19(7-11)27-10-26-18/h1-8,10-11H,9,12H2,(H,24,27)(H,25,26);1-5,7-8,12,18,23,27H,6,9-10H2,(H,24,28)(H,25,26);1-10H,11H2,(H,23,26)(H,24,25);1-4,7-9,26H,5-6,10H2,(H,22,25)(H,23,24);1-2,5-9,12H,3-4,10H2,(H,22,25)(H,23,24)/b5-3+;3-1+;5-3+;3-1+;5-1+/t;12-,18+;;;/m.1.../s1
InChIKeyRSDAICZFEBOLQQ-SFMGIUJLSA-N
XLogP18.57
TPSA446.83 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001969.94
LogP ≤ 518.57
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Analyze N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (CID 160713220) is N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)C1CC1.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)[C@@H]1C[C@@H](O)CN1.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)c1ccco1.
What is the InChIKey of N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is RSDAICZFEBOLQQ-SFMGIUJLSA-N. The full InChI is InChI=1S/C22H16FN3O3S.C21H19FN4O4.C21H14FN3O4.C20H16FN3O4.C20H16FN3O3/c23-16-11-18-15(10-19(16)24-22(27)9-14-2-1-7-30-14)17(25-26-18)5-3-13-4-6-20-21(8-13)29-12-28-20;22-14-8-16-13(7-17(14)24-21(28)18-6-12(27)9-23-18)15(25-26-16)3-1-11-2-4-19-20(5-11)30-10-29-19;22-14-10-16-13(9-17(14)23-21(26)19-2-1-7-27-19)15(24-25-16)5-3-12-4-6-18-20(8-12)29-11-28-18;21-13-9-15-12(8-16(13)22-19(25)20(26)5-6-20)14(23-24-15)3-1-11-2-4-17-18(7-11)28-10-27-17;21-14-9-16-13(8-17(14)22-20(25)12-3-4-12)15(23-24-16)5-1-11-2-6-18-19(7-11)27-10-26-18/h1-8,10-11H,9,12H2,(H,24,27)(H,25,26);1-5,7-8,12,18,23,27H,6,9-10H2,(H,24,28)(H,25,26);1-10H,11H2,(H,23,26)(H,24,25);1-4,7-9,26H,5-6,10H2,(H,22,25)(H,23,24);1-2,5-9,12H,3-4,10H2,(H,22,25)(H,23,24)/b5-3+;3-1+;5-3+;3-1+;5-1+/t;12-,18+;;;/m.1.../s1.
What are the key properties of N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 1969.94 g/mol, XLogP of 18.57, 21 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;(2S,4R)-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 160713220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).