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

C148H181F3N18O19S — CID 161131753

About 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

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 (PubChem CID 161131753) has the molecular formula C148H181F3N18O19S and a molecular weight of 2605.24 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161131753
• Molecular Formula: C148H181F3N18O19S
• Molecular Weight: 2605.24 g/mol
• Exact Mass: 2603.34
• IUPAC Name: 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
• SMILES: CC(C)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(C3CC3)c12.CC(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)s3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(C3CC3)c12.CC(F)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(C3CC3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)CC1(c2[nH]nc3cccc(C4CC4)c23)CC1
• InChI: InChI=1S/C25H28FN3O4.C25H28FN3O3S.C25H31N3O3.C25H33N3O3.C24H30FN3O3.C24H31N3O3/c2*1-14(13-22(30)29-12-4-7-15-16(25(31)32)5-3-9-19(15)29)24-23-17(20-10-11-21(26)33-20)6-2-8-18(23)27-28-24;29-21(28-13-3-6-17-18(24(30)31)5-2-8-20(17)28)14-25(11-12-25)23-22-16(15-9-10-15)4-1-7-19(22)26-27-23;1-25(2,23-22-16(15-11-12-15)6-3-9-19(22)26-27-23)14-21(29)28-13-5-8-17-18(24(30)31)7-4-10-20(17)28;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;1-14(23-22-16(15-10-11-15)5-2-8-19(22)25-26-23)13-21(28)27-12-4-7-17-18(24(29)30)6-3-9-20(17)27/h2*2,6,8,10-11,14-16,19H,3-5,7,9,12-13H2,1H3,(H,27,28)(H,31,32);1,4,7,15,17-18,20H,2-3,5-6,8-14H2,(H,26,27)(H,30,31);3,6,9,15,17-18,20H,4-5,7-8,10-14H2,1-2H3,(H,26,27)(H,30,31);2,5,8,14,16-17,19H,3-4,6-7,9-13H2,1H3,(H,26,27)(H,30,31);2,5,8,14-15,17-18,20H,3-4,6-7,9-13H2,1H3,(H,25,26)(H,29,30)
• InChIKey: UMGZJTFKCINIGI-UHFFFAOYSA-N
• XLogP: 28.25
• TPSA: 530.88 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2605.24
LogP ≤ 5	28.25
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(C3CC3)c12.CC(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)s3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(C3CC3)c12.CC(F)(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1[nH]nc2cccc(C3CC3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)CC1(c2[nH]nc3cccc(C4CC4)c23)CC1.

What is the InChIKey of 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?

The InChIKey is UMGZJTFKCINIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4.C25H28FN3O3S.C25H31N3O3.C25H33N3O3.C24H30FN3O3.C24H31N3O3/c2*1-14(13-22(30)29-12-4-7-15-16(25(31)32)5-3-9-19(15)29)24-23-17(20-10-11-21(26)33-20)6-2-8-18(23)27-28-24;29-21(28-13-3-6-17-18(24(30)31)5-2-8-20(17)28)14-25(11-12-25)23-22-16(15-9-10-15)4-1-7-19(22)26-27-23;1-25(2,23-22-16(15-11-12-15)6-3-9-19(22)26-27-23)14-21(29)28-13-5-8-17-18(24(30)31)7-4-10-20(17)28;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;1-14(23-22-16(15-10-11-15)5-2-8-19(22)25-26-23)13-21(28)27-12-4-7-17-18(24(29)30)6-3-9-20(17)27/h2*2,6,8,10-11,14-16,19H,3-5,7,9,12-13H2,1H3,(H,27,28)(H,31,32);1,4,7,15,17-18,20H,2-3,5-6,8-14H2,(H,26,27)(H,30,31);3,6,9,15,17-18,20H,4-5,7-8,10-14H2,1-2H3,(H,26,27)(H,30,31);2,5,8,14,16-17,19H,3-4,6-7,9-13H2,1H3,(H,26,27)(H,30,31);2,5,8,14-15,17-18,20H,3-4,6-7,9-13H2,1H3,(H,25,26)(H,29,30).

What are the key properties of 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?

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 has a molecular weight of 2605.24 g/mol, XLogP of 28.25, 30 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161131753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).