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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide

C115H99F2N15O14S — CID 161042999

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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide
SMILESCCCOc1c(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.O=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F.O=C(Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F)c1ccco1
InChIInChI=1S/C24H21N3O4.C24H27N3O4.C23H16FN3OS.C22H14FN3O2.C22H21N3O3/c1-2-11-30-23-17(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;23-20-17(24-22(27)18-6-3-11-28-18)10-9-16-19(20)21(26-25-16)15-8-7-13-4-1-2-5-14(13)12-15;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/h3-10,12-13H,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);1-12H,(H,24,27)(H,25,26);3-6,9-10,12,14H,2,7-8,11H2,1H3,(H,23,26)(H,24,25)/t;18-;;;/m.1.../s1
InChIKeyUBCVQPSQWIVYRO-OEGAAENXSA-N
MW1985.21 g/mol
LogP25.59
Rot. Bonds28

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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide (PubChem CID 161042999) has the molecular formula C115H99F2N15O14S and a molecular weight of 1985.21 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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide
PubChem CID161042999
Molecular FormulaC115H99F2N15O14S
Molecular Weight1985.21 g/mol
Exact Mass1983.72
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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide
SMILESCCCOc1c(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.O=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F.O=C(Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F)c1ccco1
InChIInChI=1S/C24H21N3O4.C24H27N3O4.C23H16FN3OS.C22H14FN3O2.C22H21N3O3/c1-2-11-30-23-17(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;23-20-17(24-22(27)18-6-3-11-28-18)10-9-16-19(20)21(26-25-16)15-8-7-13-4-1-2-5-14(13)12-15;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/h3-10,12-13H,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);1-12H,(H,24,27)(H,25,26);3-6,9-10,12,14H,2,7-8,11H2,1H3,(H,23,26)(H,24,25)/t;18-;;;/m.1.../s1
InChIKeyUBCVQPSQWIVYRO-OEGAAENXSA-N
XLogP25.59
TPSA402.52 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001985.21
LogP ≤ 525.59
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide (CID 161042999) 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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide is 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.O=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F.O=C(Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F)c1ccco1.
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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide?
The InChIKey is UBCVQPSQWIVYRO-OEGAAENXSA-N. The full InChI is InChI=1S/C24H21N3O4.C24H27N3O4.C23H16FN3OS.C22H14FN3O2.C22H21N3O3/c1-2-11-30-23-17(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;23-20-17(24-22(27)18-6-3-11-28-18)10-9-16-19(20)21(26-25-16)15-8-7-13-4-1-2-5-14(13)12-15;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/h3-10,12-13H,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);1-12H,(H,24,27)(H,25,26);3-6,9-10,12,14H,2,7-8,11H2,1H3,(H,23,26)(H,24,25)/t;18-;;;/m.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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide has a molecular weight of 1985.21 g/mol, XLogP of 25.59, 28 rotatable bonds, 11 hydrogen bond donors, and 20 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;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 161042999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).