2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone

C158H183F3N32O8S — CID 157457902

About 2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone

2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone (PubChem CID 157457902) has the molecular formula C158H183F3N32O8S and a molecular weight of 2747.48 g/mol. Its IUPAC name is 2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: 2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone
• PubChem CID: 157457902
• Molecular Formula: C158H183F3N32O8S
• Molecular Weight: 2747.48 g/mol
• Exact Mass: 2745.46
• IUPAC Name: 2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone
• SMILES: CC(C)N1CCN(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CN1CC2CCC(C1)N2C(=O)Cc1cc2cc(-c3cnn(C)c3)ccc2cn1.Cc1ncc(-c2cc3cc(CC(=O)C4CCC(N5CCCCC5)CC4)ncc3cc2F)o1.Cc1nnc(-c2cc(F)c3cnc(CC(=O)N4CCC(N5CCCCC5)CC4)cc3c2)s1.Cn1cc(-c2cc(F)c3cnc(CC(=O)C4CCC(N5CCCCC5)CC4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)N4CCCCC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)N4CCCCC4)cc3c2)nn1
• InChI: InChI=1S/C26H30FN3O2.C25H30FN5O.C24H28FN5OS.C22H25N5O.C22H27N5O.C20H22N4O.C19H21N5O/c1-17-28-16-26(32-17)23-12-19-11-21(29-15-20(19)13-24(23)27)14-25(31)18-5-7-22(8-6-18)30-9-3-2-4-10-30;1-30-16-24(28-29-30)19-11-18-12-20(27-15-22(18)23(26)13-19)14-25(32)17-5-7-21(8-6-17)31-9-3-2-4-10-31;1-16-27-28-24(32-16)18-11-17-12-19(26-15-21(17)22(25)13-18)14-23(31)30-9-5-20(6-10-30)29-7-3-2-4-8-29;1-25-13-20-5-6-21(14-25)27(20)22(28)9-19-8-17-7-15(3-4-16(17)10-23-19)18-11-24-26(2)12-18;1-16(2)26-6-8-27(9-7-26)22(28)12-21-11-19-10-17(4-5-18(19)13-23-21)20-14-24-25(3)15-20;1-23-14-18(13-22-23)15-5-6-16-12-21-19(10-17(16)9-15)11-20(25)24-7-3-2-4-8-24;1-23-13-18(21-22-23)14-5-6-15-12-20-17(10-16(15)9-14)11-19(25)24-7-3-2-4-8-24/h11-13,15-16,18,22H,2-10,14H2,1H3;11-13,15-17,21H,2-10,14H2,1H3;11-13,15,20H,2-10,14H2,1H3;3-4,7-8,10-12,20-21H,5-6,9,13-14H2,1-2H3;4-5,10-11,13-16H,6-9,12H2,1-3H3;5-6,9-10,12-14H,2-4,7-8,11H2,1H3;5-6,9-10,12-13H,2-4,7-8,11H2,1H3
• InChIKey: BTOQVCGXAWLXGU-UHFFFAOYSA-N
• XLogP: 25.03
• TPSA: 408.81 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2747.48
LogP ≤ 5	25.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone?

The IUPAC name of 2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone (CID 157457902) is 2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone.

What is the SMILES notation for 2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone?

The canonical SMILES for 2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone is CC(C)N1CCN(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CN1CC2CCC(C1)N2C(=O)Cc1cc2cc(-c3cnn(C)c3)ccc2cn1.Cc1ncc(-c2cc3cc(CC(=O)C4CCC(N5CCCCC5)CC4)ncc3cc2F)o1.Cc1nnc(-c2cc(F)c3cnc(CC(=O)N4CCC(N5CCCCC5)CC4)cc3c2)s1.Cn1cc(-c2cc(F)c3cnc(CC(=O)C4CCC(N5CCCCC5)CC4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)N4CCCCC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)N4CCCCC4)cc3c2)nn1.

What is the InChIKey of 2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone?

The InChIKey is BTOQVCGXAWLXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2.C25H30FN5O.C24H28FN5OS.C22H25N5O.C22H27N5O.C20H22N4O.C19H21N5O/c1-17-28-16-26(32-17)23-12-19-11-21(29-15-20(19)13-24(23)27)14-25(31)18-5-7-22(8-6-18)30-9-3-2-4-10-30;1-30-16-24(28-29-30)19-11-18-12-20(27-15-22(18)23(26)13-19)14-25(32)17-5-7-21(8-6-17)31-9-3-2-4-10-31;1-16-27-28-24(32-16)18-11-17-12-19(26-15-21(17)22(25)13-18)14-23(31)30-9-5-20(6-10-30)29-7-3-2-4-8-29;1-25-13-20-5-6-21(14-25)27(20)22(28)9-19-8-17-7-15(3-4-16(17)10-23-19)18-11-24-26(2)12-18;1-16(2)26-6-8-27(9-7-26)22(28)12-21-11-19-10-17(4-5-18(19)13-23-21)20-14-24-25(3)15-20;1-23-14-18(13-22-23)15-5-6-16-12-21-19(10-17(16)9-15)11-20(25)24-7-3-2-4-8-24;1-23-13-18(21-22-23)14-5-6-15-12-20-17(10-16(15)9-14)11-19(25)24-7-3-2-4-8-24/h11-13,15-16,18,22H,2-10,14H2,1H3;11-13,15-17,21H,2-10,14H2,1H3;11-13,15,20H,2-10,14H2,1H3;3-4,7-8,10-12,20-21H,5-6,9,13-14H2,1-2H3;4-5,10-11,13-16H,6-9,12H2,1-3H3;5-6,9-10,12-14H,2-4,7-8,11H2,1H3;5-6,9-10,12-13H,2-4,7-8,11H2,1H3.

What are the key properties of 2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone?

2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone has a molecular weight of 2747.48 g/mol, XLogP of 25.03, 27 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 157457902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).