3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide

C135H121F3N18O17S — CID 159224493

IUPAC3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide
SMILESCC(=O)Nc1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.CCCOc1c(C(=O)NC2CC2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.CCCOc1c(C(=O)NCc2ccco2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.CCCOc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(-c3cc4ccccc4o3)c12.CCCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.O=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F
InChIInChI=1S/C27H25N3O4.C24H21N3O4.C24H27N3O4.C23H16FN3OS.C22H21N3O3.C15H11F2N3O/c1-2-14-33-26-19(27(32)28-21(16-31)17-8-4-3-5-9-17)12-13-20-24(26)25(30-29-20)23-15-18-10-6-7-11-22(18)34-23;1-2-11-30-23-17(24(28)25-14-16-7-5-12-29-16)9-10-18-21(23)22(27-26-18)20-13-15-6-3-4-8-19(15)31-20;1-4-11-30-23-16(24(29)25-18(13-28)14(2)3)9-10-17-21(23)22(27-26-17)20-12-15-7-5-6-8-19(15)31-20;24-22-19(25-20(28)13-17-6-3-11-29-17)10-9-18-21(22)23(27-26-18)16-8-7-14-4-1-2-5-15(14)12-16;1-2-11-27-21-15(22(26)23-14-7-8-14)9-10-16-19(21)20(25-24-16)18-12-13-5-3-4-6-17(13)28-18;1-8(21)18-11-6-12-14(9-3-2-4-10(16)5-9)19-20-15(12)13(17)7-11/h3-13,15,21,31H,2,14,16H2,1H3,(H,28,32)(H,29,30);3-10,12-13H,2,11,14H2,1H3,(H,25,28)(H,26,27);5-10,12,14,18,28H,4,11,13H2,1-3H3,(H,25,29)(H,26,27);1-12H,13H2,(H,25,28)(H,26,27);3-6,9-10,12,14H,2,7-8,11H2,1H3,(H,23,26)(H,24,25);2-7H,1H3,(H,18,21)(H,19,20)/t21-;;18-;;;/m1.1.../s1
InChIKeyKSCQMRRMYFFKKZ-BTWPNFAFSA-N
MW2356.62 g/mol
LogP28.92
Rot. Bonds35

About 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide

3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide (PubChem CID 159224493) has the molecular formula C135H121F3N18O17S and a molecular weight of 2356.62 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide
PubChem CID159224493
Molecular FormulaC135H121F3N18O17S
Molecular Weight2356.62 g/mol
Exact Mass2354.88
IUPAC Name3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide
SMILESCC(=O)Nc1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.CCCOc1c(C(=O)NC2CC2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.CCCOc1c(C(=O)NCc2ccco2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.CCCOc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(-c3cc4ccccc4o3)c12.CCCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.O=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F
InChIInChI=1S/C27H25N3O4.C24H21N3O4.C24H27N3O4.C23H16FN3OS.C22H21N3O3.C15H11F2N3O/c1-2-14-33-26-19(27(32)28-21(16-31)17-8-4-3-5-9-17)12-13-20-24(26)25(30-29-20)23-15-18-10-6-7-11-22(18)34-23;1-2-11-30-23-17(24(28)25-14-16-7-5-12-29-16)9-10-18-21(23)22(27-26-18)20-13-15-6-3-4-8-19(15)31-20;1-4-11-30-23-16(24(29)25-18(13-28)14(2)3)9-10-17-21(23)22(27-26-17)20-12-15-7-5-6-8-19(15)31-20;24-22-19(25-20(28)13-17-6-3-11-29-17)10-9-18-21(22)23(27-26-18)16-8-7-14-4-1-2-5-15(14)12-16;1-2-11-27-21-15(22(26)23-14-7-8-14)9-10-16-19(21)20(25-24-16)18-12-13-5-3-4-6-17(13)28-18;1-8(21)18-11-6-12-14(9-3-2-4-10(16)5-9)19-20-15(12)13(17)7-11/h3-13,15,21,31H,2,14,16H2,1H3,(H,28,32)(H,29,30);3-10,12-13H,2,11,14H2,1H3,(H,25,28)(H,26,27);5-10,12,14,18,28H,4,11,13H2,1-3H3,(H,25,29)(H,26,27);1-12H,13H2,(H,25,28)(H,26,27);3-6,9-10,12,14H,2,7-8,11H2,1H3,(H,23,26)(H,24,25);2-7H,1H3,(H,18,21)(H,19,20)/t21-;;18-;;;/m1.1.../s1
InChIKeyKSCQMRRMYFFKKZ-BTWPNFAFSA-N
XLogP28.92
TPSA489.76 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002356.62
LogP ≤ 528.92
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Analyze 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide (CID 159224493) is 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide is CC(=O)Nc1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.CCCOc1c(C(=O)NC2CC2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.CCCOc1c(C(=O)NCc2ccco2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.CCCOc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(-c3cc4ccccc4o3)c12.CCCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.O=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide?
The InChIKey is KSCQMRRMYFFKKZ-BTWPNFAFSA-N. The full InChI is InChI=1S/C27H25N3O4.C24H21N3O4.C24H27N3O4.C23H16FN3OS.C22H21N3O3.C15H11F2N3O/c1-2-14-33-26-19(27(32)28-21(16-31)17-8-4-3-5-9-17)12-13-20-24(26)25(30-29-20)23-15-18-10-6-7-11-22(18)34-23;1-2-11-30-23-17(24(28)25-14-16-7-5-12-29-16)9-10-18-21(23)22(27-26-18)20-13-15-6-3-4-8-19(15)31-20;1-4-11-30-23-16(24(29)25-18(13-28)14(2)3)9-10-17-21(23)22(27-26-17)20-12-15-7-5-6-8-19(15)31-20;24-22-19(25-20(28)13-17-6-3-11-29-17)10-9-18-21(22)23(27-26-18)16-8-7-14-4-1-2-5-15(14)12-16;1-2-11-27-21-15(22(26)23-14-7-8-14)9-10-16-19(21)20(25-24-16)18-12-13-5-3-4-6-17(13)28-18;1-8(21)18-11-6-12-14(9-3-2-4-10(16)5-9)19-20-15(12)13(17)7-11/h3-13,15,21,31H,2,14,16H2,1H3,(H,28,32)(H,29,30);3-10,12-13H,2,11,14H2,1H3,(H,25,28)(H,26,27);5-10,12,14,18,28H,4,11,13H2,1-3H3,(H,25,29)(H,26,27);1-12H,13H2,(H,25,28)(H,26,27);3-6,9-10,12,14H,2,7-8,11H2,1H3,(H,23,26)(H,24,25);2-7H,1H3,(H,18,21)(H,19,20)/t21-;;18-;;;/m1.1.../s1.
What are the key properties of 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide?
3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide has a molecular weight of 2356.62 g/mol, XLogP of 28.92, 35 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 159224493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).