1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone

C186H216F3N39O11S4 — CID 158035753

About 1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone

1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone (PubChem CID 158035753) has the molecular formula C186H216F3N39O11S4 and a molecular weight of 3359.30 g/mol. Its IUPAC name is 1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone.

Molecular Properties

• Compound Name: 1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone
• PubChem CID: 158035753
• Molecular Formula: C186H216F3N39O11S4
• Molecular Weight: 3359.30 g/mol
• Exact Mass: 3356.64
• IUPAC Name: 1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone
• SMILES: CN1CCN(C(=O)C2CCC(C(=O)Cc3cc4cc(-c5cnn(C)c5)cc(F)c4cn3)CC2)CC1.CN1CCN(C2CCC(C(=O)Cc3cc4cc(-c5cnn(C)c5)cc(F)c4cn3)CC2)CC1.Cc1ncc(-c2cc(F)c3cnc(CC(=O)C4CCC(C(=O)N5CCN(C)CC5)CC4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)N4C5CCC4CN(C)C5)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4C5CCC4CN(C)C5)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CCN(C)[C@@H](C)C4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CCN(C)[C@H](C)C4)cc3c2)s1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCC(N5CCCC5)CC4)cc3c2)nn1
• InChI: InChI=1S/C27H32FN5O2.C27H31FN4O3.C26H32FN5O.C24H29N5O.2C21H23N5OS.2C20H23N5OS/c1-31-7-9-33(10-8-31)27(35)19-5-3-18(4-6-19)26(34)14-23-12-21-11-20(22-15-30-32(2)17-22)13-25(28)24(21)16-29-23;1-17-29-16-26(35-17)21-11-20-12-22(30-15-23(20)24(28)13-21)14-25(33)18-3-5-19(6-4-18)27(34)32-9-7-31(2)8-10-32;1-30-7-9-32(10-8-30)23-5-3-18(4-6-23)26(33)14-22-12-20-11-19(21-15-29-31(2)17-21)13-25(27)24(20)16-28-22;1-28-16-23(26-27-28)18-4-5-19-15-25-21(13-20(19)12-18)14-24(30)17-6-8-22(9-7-17)29-10-2-3-11-29;2*1-13-23-24-21(28-13)14-3-4-15-10-22-17(8-16(15)7-14)9-20(27)26-18-5-6-19(26)12-25(2)11-18;2*1-13-12-25(7-6-24(13)3)19(26)10-18-9-17-8-15(4-5-16(17)11-21-18)20-23-22-14(2)27-20/h11-13,15-19H,3-10,14H2,1-2H3;11-13,15-16,18-19H,3-10,14H2,1-2H3;11-13,15-18,23H,3-10,14H2,1-2H3;4-5,12-13,15-17,22H,2-3,6-11,14H2,1H3;2*3-4,7-8,10,18-19H,5-6,9,11-12H2,1-2H3;2*4-5,8-9,11,13H,6-7,10,12H2,1-3H3/t;;;;;;2*13-/m......10/s1
• InChIKey: FHSMPSOEPJBESC-WIHHQCKVSA-N
• XLogP: 26.34
• TPSA: 517.92 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 32
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3359.30
LogP ≤ 5	26.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone?

The IUPAC name of 1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone (CID 158035753) is 1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone.

What is the SMILES notation for 1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone?

The canonical SMILES for 1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone is CN1CCN(C(=O)C2CCC(C(=O)Cc3cc4cc(-c5cnn(C)c5)cc(F)c4cn3)CC2)CC1.CN1CCN(C2CCC(C(=O)Cc3cc4cc(-c5cnn(C)c5)cc(F)c4cn3)CC2)CC1.Cc1ncc(-c2cc(F)c3cnc(CC(=O)C4CCC(C(=O)N5CCN(C)CC5)CC4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)N4C5CCC4CN(C)C5)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4C5CCC4CN(C)C5)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CCN(C)[C@@H](C)C4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CCN(C)[C@H](C)C4)cc3c2)s1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCC(N5CCCC5)CC4)cc3c2)nn1.

What is the InChIKey of 1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone?

The InChIKey is FHSMPSOEPJBESC-WIHHQCKVSA-N. The full InChI is InChI=1S/C27H32FN5O2.C27H31FN4O3.C26H32FN5O.C24H29N5O.2C21H23N5OS.2C20H23N5OS/c1-31-7-9-33(10-8-31)27(35)19-5-3-18(4-6-19)26(34)14-23-12-21-11-20(22-15-30-32(2)17-22)13-25(28)24(21)16-29-23;1-17-29-16-26(35-17)21-11-20-12-22(30-15-23(20)24(28)13-21)14-25(33)18-3-5-19(6-4-18)27(34)32-9-7-31(2)8-10-32;1-30-7-9-32(10-8-30)23-5-3-18(4-6-23)26(33)14-22-12-20-11-19(21-15-29-31(2)17-21)13-25(27)24(20)16-28-22;1-28-16-23(26-27-28)18-4-5-19-15-25-21(13-20(19)12-18)14-24(30)17-6-8-22(9-7-17)29-10-2-3-11-29;2*1-13-23-24-21(28-13)14-3-4-15-10-22-17(8-16(15)7-14)9-20(27)26-18-5-6-19(26)12-25(2)11-18;2*1-13-12-25(7-6-24(13)3)19(26)10-18-9-17-8-15(4-5-16(17)11-21-18)20-23-22-14(2)27-20/h11-13,15-19H,3-10,14H2,1-2H3;11-13,15-16,18-19H,3-10,14H2,1-2H3;11-13,15-18,23H,3-10,14H2,1-2H3;4-5,12-13,15-17,22H,2-3,6-11,14H2,1H3;2*3-4,7-8,10,18-19H,5-6,9,11-12H2,1-2H3;2*4-5,8-9,11,13H,6-7,10,12H2,1-3H3/t;;;;;;2*13-/m......10/s1.

What are the key properties of 1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone?

1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone has a molecular weight of 3359.30 g/mol, XLogP of 26.34, 32 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3,4-dimethylpiperazin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone;bis(1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(4-pyrrolidin-1-ylcyclohexyl)ethanone is sourced from PubChem (CID 158035753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).