1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
C155H190F2N18O20S2 — CID 158025983
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
SMILESCC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3cccs3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1nn(C)c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1nn(C)c2cccc(-c3cccs3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1nn(C)c2cccc(C3CC3)c12.Cn1nc(C(C)(C)CC(=O)N2CCCC3C(C(=O)O)CCCC32)c2c(-c3ccc(F)o3)cccc21.Cn1nc(C(C)(C)CC(=O)N2CCCC3C(C(=O)O)CCCC32)c2c(C3CC3)cccc21
InChIInChI=1S/C27H32FN3O4.C26H30FN3O4.C26H31N3O3S.C26H35N3O3.C25H29N3O3S.C25H33N3O3/c1-27(2,15-23(32)31-14-6-9-16-17(26(33)34)7-4-10-19(16)31)25-24-18(21-12-13-22(28)35-21)8-5-11-20(24)30(3)29-25;1-15(14-23(31)30-13-5-8-16-17(26(32)33)6-3-9-19(16)30)25-24-18(21-11-12-22(27)34-21)7-4-10-20(24)29(2)28-25;1-16(15-23(30)29-13-5-9-17-18(26(31)32)7-3-10-20(17)29)25-24-19(22-12-6-14-33-22)8-4-11-21(24)28(2)27-25;1-26(2,24-23-17(16-12-13-16)7-4-11-21(23)28(3)27-24)15-22(30)29-14-6-9-18-19(25(31)32)8-5-10-20(18)29;1-15(24-23-18(21-11-5-13-32-21)7-2-9-19(23)26-27-24)14-22(29)28-12-4-8-16-17(25(30)31)6-3-10-20(16)28;1-15(24-23-17(16-11-12-16)6-3-10-21(23)27(2)26-24)14-22(29)28-13-5-8-18-19(25(30)31)7-4-9-20(18)28/h5,8,11-13,16-17,19H,4,6-7,9-10,14-15H2,1-3H3,(H,33,34);4,7,10-12,15-17,19H,3,5-6,8-9,13-14H2,1-2H3,(H,32,33);4,6,8,11-12,14,16-18,20H,3,5,7,9-10,13,15H2,1-2H3,(H,31,32);4,7,11,16,18-20H,5-6,8-10,12-15H2,1-3H3,(H,31,32);2,5,7,9,11,13,15-17,20H,3-4,6,8,10,12,14H2,1H3,(H,26,27)(H,30,31);3,6,10,15-16,18-20H,4-5,7-9,11-14H2,1-2H3,(H,30,31)
InChIKeyFGPNDDRXHVSBAQ-UHFFFAOYSA-N
MW2727.46 g/mol
LogP29.70
Rot. Bonds30
About 1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (PubChem CID 158025983) has the molecular formula C155H190F2N18O20S2 and a molecular weight of 2727.46 g/mol. Its IUPAC name is 1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid.
Molecular Properties
| Compound Name | 1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid |
|---|---|
| PubChem CID | 158025983 |
| Molecular Formula | C155H190F2N18O20S2 |
| Molecular Weight | 2727.46 g/mol |
| Exact Mass | 2725.38 |
| IUPAC Name | 1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid |
| SMILES | CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3cccs3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1nn(C)c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1nn(C)c2cccc(-c3cccs3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1nn(C)c2cccc(C3CC3)c12.Cn1nc(C(C)(C)CC(=O)N2CCCC3C(C(=O)O)CCCC32)c2c(-c3ccc(F)o3)cccc21.Cn1nc(C(C)(C)CC(=O)N2CCCC3C(C(=O)O)CCCC32)c2c(C3CC3)cccc21 |
| InChI | InChI=1S/C27H32FN3O4.C26H30FN3O4.C26H31N3O3S.C26H35N3O3.C25H29N3O3S.C25H33N3O3/c1-27(2,15-23(32)31-14-6-9-16-17(26(33)34)7-4-10-19(16)31)25-24-18(21-12-13-22(28)35-21)8-5-11-20(24)30(3)29-25;1-15(14-23(31)30-13-5-8-16-17(26(32)33)6-3-9-19(16)30)25-24-18(21-11-12-22(27)34-21)7-4-10-20(24)29(2)28-25;1-16(15-23(30)29-13-5-9-17-18(26(31)32)7-3-10-20(17)29)25-24-19(22-12-6-14-33-22)8-4-11-21(24)28(2)27-25;1-26(2,24-23-17(16-12-13-16)7-4-11-21(23)28(3)27-24)15-22(30)29-14-6-9-18-19(25(31)32)8-5-10-20(18)29;1-15(24-23-18(21-11-5-13-32-21)7-2-9-19(23)26-27-24)14-22(29)28-12-4-8-16-17(25(30)31)6-3-10-20(16)28;1-15(24-23-17(16-11-12-16)6-3-10-21(23)27(2)26-24)14-22(29)28-13-5-8-18-19(25(30)31)7-4-9-20(18)28/h5,8,11-13,16-17,19H,4,6-7,9-10,14-15H2,1-3H3,(H,33,34);4,7,10-12,15-17,19H,3,5-6,8-9,13-14H2,1-2H3,(H,32,33);4,6,8,11-12,14,16-18,20H,3,5,7,9-10,13,15H2,1-2H3,(H,31,32);4,7,11,16,18-20H,5-6,8-10,12-15H2,1-3H3,(H,31,32);2,5,7,9,11,13,15-17,20H,3-4,6,8,10,12,14H2,1H3,(H,26,27)(H,30,31);3,6,10,15-16,18-20H,4-5,7-9,11-14H2,1-2H3,(H,30,31) |
| InChIKey | FGPNDDRXHVSBAQ-UHFFFAOYSA-N |
| XLogP | 29.70 |
| TPSA | 489.72 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 197 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2727.46 |
| LogP ≤ 5 | 29.70 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 27 |
Frequently Asked Questions
What is the IUPAC name of 1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (CID 158025983) is 1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3cccs3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1nn(C)c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1nn(C)c2cccc(-c3cccs3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1nn(C)c2cccc(C3CC3)c12.Cn1nc(C(C)(C)CC(=O)N2CCCC3C(C(=O)O)CCCC32)c2c(-c3ccc(F)o3)cccc21.Cn1nc(C(C)(C)CC(=O)N2CCCC3C(C(=O)O)CCCC32)c2c(C3CC3)cccc21.
What is the InChIKey of 1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
The InChIKey is FGPNDDRXHVSBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O4.C26H30FN3O4.C26H31N3O3S.C26H35N3O3.C25H29N3O3S.C25H33N3O3/c1-27(2,15-23(32)31-14-6-9-16-17(26(33)34)7-4-10-19(16)31)25-24-18(21-12-13-22(28)35-21)8-5-11-20(24)30(3)29-25;1-15(14-23(31)30-13-5-8-16-17(26(32)33)6-3-9-19(16)30)25-24-18(21-11-12-22(27)34-21)7-4-10-20(24)29(2)28-25;1-16(15-23(30)29-13-5-9-17-18(26(31)32)7-3-10-20(17)29)25-24-19(22-12-6-14-33-22)8-4-11-21(24)28(2)27-25;1-26(2,24-23-17(16-12-13-16)7-4-11-21(23)28(3)27-24)15-22(30)29-14-6-9-18-19(25(31)32)8-5-10-20(18)29;1-15(24-23-18(21-11-5-13-32-21)7-2-9-19(23)26-27-24)14-22(29)28-12-4-8-16-17(25(30)31)6-3-10-20(16)28;1-15(24-23-17(16-11-12-16)6-3-10-21(23)27(2)26-24)14-22(29)28-13-5-8-18-19(25(30)31)7-4-9-20(18)28/h5,8,11-13,16-17,19H,4,6-7,9-10,14-15H2,1-3H3,(H,33,34);4,7,10-12,15-17,19H,3,5-6,8-9,13-14H2,1-2H3,(H,32,33);4,6,8,11-12,14,16-18,20H,3,5,7,9-10,13,15H2,1-2H3,(H,31,32);4,7,11,16,18-20H,5-6,8-10,12-15H2,1-3H3,(H,31,32);2,5,7,9,11,13,15-17,20H,3-4,6,8,10,12,14H2,1H3,(H,26,27)(H,30,31);3,6,10,15-16,18-20H,4-5,7-9,11-14H2,1-2H3,(H,30,31).
What are the key properties of 1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid has a molecular weight of 2727.46 g/mol, XLogP of 29.70, 30 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 158025983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158025983 — identifiers, structure, computed properties (public domain)
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