1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid

C153H172F8N18O22 — CID 162040054

IUPAC1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
SMILESCC(C)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3ccc(F)cc3)c12.CC(F)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3ccc(F)o3)c12.CC(F)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3ccc(F)o3)c12.CC(F)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(C3CC3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)CC1(c2[nH]nc3cccc(-c4ccc(F)o4)c23)CC1
InChIInChI=1S/C27H30FN3O3.C26H28FN3O4.C26H30FN3O4.2C25H27F2N3O4.C24H30FN3O3/c1-16(15-24(32)31-14-4-7-20-21(27(33)34)6-3-9-23(20)31)26-25-19(5-2-8-22(25)29-30-26)17-10-12-18(28)13-11-17;27-21-10-9-20(34-21)17-5-1-7-18-23(17)24(29-28-18)26(11-12-26)14-22(31)30-13-3-6-15-16(25(32)33)4-2-8-19(15)30;1-26(2,14-22(31)30-13-5-8-15-16(25(32)33)6-4-10-19(15)30)24-23-17(20-11-12-21(27)34-20)7-3-9-18(23)28-29-24;2*1-25(27,13-21(31)30-12-4-7-14-15(24(32)33)5-3-9-18(14)30)23-22-16(19-10-11-20(26)34-19)6-2-8-17(22)28-29-23;1-24(25,22-21-15(14-10-11-14)5-2-8-18(21)26-27-22)13-20(29)28-12-4-7-16-17(23(30)31)6-3-9-19(16)28/h2,5,8,10-13,16,20-21,23H,3-4,6-7,9,14-15H2,1H3,(H,29,30)(H,33,34);1,5,7,9-10,15-16,19H,2-4,6,8,11-14H2,(H,28,29)(H,32,33);3,7,9,11-12,15-16,19H,4-6,8,10,13-14H2,1-2H3,(H,28,29)(H,32,33);2*2,6,8,10-11,14-15,18H,3-5,7,9,12-13H2,1H3,(H,28,29)(H,32,33);2,5,8,14,16-17,19H,3-4,6-7,9-13H2,1H3,(H,26,27)(H,30,31)
InChIKeyYXDRMDCMTVDGTD-UHFFFAOYSA-N
MW2767.15 g/mol
LogP29.92
Rot. Bonds30

About 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid

1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (PubChem CID 162040054) has the molecular formula C153H172F8N18O22 and a molecular weight of 2767.15 g/mol. Its IUPAC name is 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
PubChem CID162040054
Molecular FormulaC153H172F8N18O22
Molecular Weight2767.15 g/mol
Exact Mass2765.28
IUPAC Name1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
SMILESCC(C)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3ccc(F)cc3)c12.CC(F)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3ccc(F)o3)c12.CC(F)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3ccc(F)o3)c12.CC(F)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(C3CC3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)CC1(c2[nH]nc3cccc(-c4ccc(F)o4)c23)CC1
InChIInChI=1S/C27H30FN3O3.C26H28FN3O4.C26H30FN3O4.2C25H27F2N3O4.C24H30FN3O3/c1-16(15-24(32)31-14-4-7-20-21(27(33)34)6-3-9-23(20)31)26-25-19(5-2-8-22(25)29-30-26)17-10-12-18(28)13-11-17;27-21-10-9-20(34-21)17-5-1-7-18-23(17)24(29-28-18)26(11-12-26)14-22(31)30-13-3-6-15-16(25(32)33)4-2-8-19(15)30;1-26(2,14-22(31)30-13-5-8-15-16(25(32)33)6-4-10-19(15)30)24-23-17(20-11-12-21(27)34-20)7-3-9-18(23)28-29-24;2*1-25(27,13-21(31)30-12-4-7-14-15(24(32)33)5-3-9-18(14)30)23-22-16(19-10-11-20(26)34-19)6-2-8-17(22)28-29-23;1-24(25,22-21-15(14-10-11-14)5-2-8-18(21)26-27-22)13-20(29)28-12-4-7-16-17(23(30)31)6-3-9-19(16)28/h2,5,8,10-13,16,20-21,23H,3-4,6-7,9,14-15H2,1H3,(H,29,30)(H,33,34);1,5,7,9-10,15-16,19H,2-4,6,8,11-14H2,(H,28,29)(H,32,33);3,7,9,11-12,15-16,19H,4-6,8,10,13-14H2,1-2H3,(H,28,29)(H,32,33);2*2,6,8,10-11,14-15,18H,3-5,7,9,12-13H2,1H3,(H,28,29)(H,32,33);2,5,8,14,16-17,19H,3-4,6-7,9-13H2,1H3,(H,26,27)(H,30,31)
InChIKeyYXDRMDCMTVDGTD-UHFFFAOYSA-N
XLogP29.92
TPSA570.30 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002767.15
LogP ≤ 529.92
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 89795183
1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 89795196
1-[3-(4-cyclopropyl-2,3-dihydro-1-benzofuran-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2,3-dihydro-1-benzofuran-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-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-methyl-2,3-dihydroindol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 157269833
3-(4-cyclopropyl-5-fluoro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-fluoro-3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-[1-(4-fluoro-5-methoxy-2H-indazol-3-yl)cyclopropyl]acetyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
CID 157336250
1-[3-(4-cyclopropyl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 157635676
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
1-[3-(4-cyclopropyl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[1-(4-cyclopropyl-2H-indazol-3-yl)cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-2H-indazol-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)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 161131753
1-[2-[1-(4-cyclopropyl-1-methylindazol-3-yl)cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-(4-cyclopropyl-1-methylindazol-3-yl)-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[1-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-methyl-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-[2-[1-(1-methyl-4-thiophen-2-ylindazol-3-yl)cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 161797192

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-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-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (CID 162040054) is 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-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-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-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-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is CC(C)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3ccc(F)cc3)c12.CC(F)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3ccc(F)o3)c12.CC(F)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(-c3ccc(F)o3)c12.CC(F)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(C3CC3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)CC1(c2[nH]nc3cccc(-c4ccc(F)o4)c23)CC1.
What is the InChIKey of 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
The InChIKey is YXDRMDCMTVDGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O3.C26H28FN3O4.C26H30FN3O4.2C25H27F2N3O4.C24H30FN3O3/c1-16(15-24(32)31-14-4-7-20-21(27(33)34)6-3-9-23(20)31)26-25-19(5-2-8-22(25)29-30-26)17-10-12-18(28)13-11-17;27-21-10-9-20(34-21)17-5-1-7-18-23(17)24(29-28-18)26(11-12-26)14-22(31)30-13-3-6-15-16(25(32)33)4-2-8-19(15)30;1-26(2,14-22(31)30-13-5-8-15-16(25(32)33)6-4-10-19(15)30)24-23-17(20-11-12-21(27)34-20)7-3-9-18(23)28-29-24;2*1-25(27,13-21(31)30-12-4-7-14-15(24(32)33)5-3-9-18(14)30)23-22-16(19-10-11-20(26)34-19)6-2-8-17(22)28-29-23;1-24(25,22-21-15(14-10-11-14)5-2-8-18(21)26-27-22)13-20(29)28-12-4-7-16-17(23(30)31)6-3-9-19(16)28/h2,5,8,10-13,16,20-21,23H,3-4,6-7,9,14-15H2,1H3,(H,29,30)(H,33,34);1,5,7,9-10,15-16,19H,2-4,6,8,11-14H2,(H,28,29)(H,32,33);3,7,9,11-12,15-16,19H,4-6,8,10,13-14H2,1-2H3,(H,28,29)(H,32,33);2*2,6,8,10-11,14-15,18H,3-5,7,9,12-13H2,1H3,(H,28,29)(H,32,33);2,5,8,14,16-17,19H,3-4,6-7,9-13H2,1H3,(H,26,27)(H,30,31).
What are the key properties of 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid has a molecular weight of 2767.15 g/mol, XLogP of 29.92, 30 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[2-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 162040054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).