1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone

C206H242F2N34O11S7 — CID 158507107

About 1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone

1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone (PubChem CID 158507107) has the molecular formula C206H242F2N34O11S7 and a molecular weight of 3633.90 g/mol. Its IUPAC name is 1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
• PubChem CID: 158507107
• Molecular Formula: C206H242F2N34O11S7
• Molecular Weight: 3633.90 g/mol
• Exact Mass: 3630.75
• IUPAC Name: 1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
• SMILES: CCCCC1CCC(C(=O)Cc2cc3cc(-c4cnc(C)o4)ccc3cn2)CC1.CCCCC1CCN(C(=O)Cc2cc3cc(-c4cnc(C)o4)ccc3cn2)CC1.CCCCC1CCN(C(=O)Cc2cc3cc(-c4nnc(C)s4)ccc3cn2)CC1.CCCCC1CCN(C(=O)Cc2cc3cc(-c4nnc(C)s4)ccc3cn2)CC1.CCCCC1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc2cc(-c3nnc(C)s3)ccc2cn1.CC[C@H]1CCN(C(=O)Cc2cc3cc(-c4nnc(C)s4)ccc3cn2)C[C@H]1F.Cc1nnc(-c2ccc3cnc(CC(=O)N4CCC(C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4[C@@H]5CC[C@H]4CC(C)C5)cc3c2)s1.[2H]c1nc(CC(=O)N2CCC(N(C)CC(C)F)CC2)cc2cc(-c3nnc(C)s3)ccc12
• InChI: InChI=1S/C25H30N4OS.C25H30N2O2.C24H29N3O2.C23H28FN5OS.2C23H28N4OS.C22H24N4OS.C21H23FN4OS.C20H22N4OS/c1-3-4-5-17-10-22-8-9-23(11-17)29(22)24(30)14-21-13-20-12-18(6-7-19(20)15-26-21)25-28-27-16(2)31-25;1-3-4-5-18-6-8-19(9-7-18)24(28)14-23-13-22-12-20(10-11-21(22)15-27-23)25-16-26-17(2)29-25;1-3-4-5-18-8-10-27(11-9-18)24(28)14-22-13-21-12-19(6-7-20(21)15-26-22)23-16-25-17(2)29-23;1-15(24)14-28(3)21-6-8-29(9-7-21)22(30)12-20-11-19-10-17(4-5-18(19)13-25-20)23-27-26-16(2)31-23;2*1-3-4-5-17-8-10-27(11-9-17)22(28)14-21-13-20-12-18(6-7-19(20)15-24-21)23-26-25-16(2)29-23;1-13-7-19-5-6-20(8-13)26(19)21(27)11-18-10-17-9-15(3-4-16(17)12-23-18)22-25-24-14(2)28-22;1-3-14-6-7-26(12-19(14)22)20(27)10-18-9-17-8-15(4-5-16(17)11-23-18)21-25-24-13(2)28-21;1-13-5-7-24(8-6-13)19(25)11-18-10-17-9-15(3-4-16(17)12-21-18)20-23-22-14(2)26-20/h6-7,12-13,15,17,22-23H,3-5,8-11,14H2,1-2H3;10-13,15-16,18-19H,3-9,14H2,1-2H3;6-7,12-13,15-16,18H,3-5,8-11,14H2,1-2H3;4-5,10-11,13,15,21H,6-9,12,14H2,1-3H3;2*6-7,12-13,15,17H,3-5,8-11,14H2,1-2H3;3-4,9-10,12-13,19-20H,5-8,11H2,1-2H3;4-5,8-9,11,14,19H,3,6-7,10,12H2,1-2H3;3-4,9-10,12-13H,5-8,11H2,1-2H3/t17?,22-,23+;;;;;;13?,19-,20+;14-,19+;/m.......0./s1/i;;;13D
• InChIKey: HKPCMFJZXQYKCQ-WGAHJXNUSA-N
• XLogP: 43.45
• TPSA: 531.32 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 47
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3633.90
LogP ≤ 5	43.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

The IUPAC name of 1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone (CID 158507107) is 1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone.

What is the SMILES notation for 1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

The canonical SMILES for 1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone is CCCCC1CCC(C(=O)Cc2cc3cc(-c4cnc(C)o4)ccc3cn2)CC1.CCCCC1CCN(C(=O)Cc2cc3cc(-c4cnc(C)o4)ccc3cn2)CC1.CCCCC1CCN(C(=O)Cc2cc3cc(-c4nnc(C)s4)ccc3cn2)CC1.CCCCC1CCN(C(=O)Cc2cc3cc(-c4nnc(C)s4)ccc3cn2)CC1.CCCCC1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc2cc(-c3nnc(C)s3)ccc2cn1.CC[C@H]1CCN(C(=O)Cc2cc3cc(-c4nnc(C)s4)ccc3cn2)C[C@H]1F.Cc1nnc(-c2ccc3cnc(CC(=O)N4CCC(C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4[C@@H]5CC[C@H]4CC(C)C5)cc3c2)s1.[2H]c1nc(CC(=O)N2CCC(N(C)CC(C)F)CC2)cc2cc(-c3nnc(C)s3)ccc12.

What is the InChIKey of 1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

The InChIKey is HKPCMFJZXQYKCQ-WGAHJXNUSA-N. The full InChI is InChI=1S/C25H30N4OS.C25H30N2O2.C24H29N3O2.C23H28FN5OS.2C23H28N4OS.C22H24N4OS.C21H23FN4OS.C20H22N4OS/c1-3-4-5-17-10-22-8-9-23(11-17)29(22)24(30)14-21-13-20-12-18(6-7-19(20)15-26-21)25-28-27-16(2)31-25;1-3-4-5-18-6-8-19(9-7-18)24(28)14-23-13-22-12-20(10-11-21(22)15-27-23)25-16-26-17(2)29-25;1-3-4-5-18-8-10-27(11-9-18)24(28)14-22-13-21-12-19(6-7-20(21)15-26-22)23-16-25-17(2)29-23;1-15(24)14-28(3)21-6-8-29(9-7-21)22(30)12-20-11-19-10-17(4-5-18(19)13-25-20)23-27-26-16(2)31-23;2*1-3-4-5-17-8-10-27(11-9-17)22(28)14-21-13-20-12-18(6-7-19(20)15-24-21)23-26-25-16(2)29-23;1-13-7-19-5-6-20(8-13)26(19)21(27)11-18-10-17-9-15(3-4-16(17)12-23-18)22-25-24-14(2)28-22;1-3-14-6-7-26(12-19(14)22)20(27)10-18-9-17-8-15(4-5-16(17)11-23-18)21-25-24-13(2)28-21;1-13-5-7-24(8-6-13)19(25)11-18-10-17-9-15(3-4-16(17)12-21-18)20-23-22-14(2)26-20/h6-7,12-13,15,17,22-23H,3-5,8-11,14H2,1-2H3;10-13,15-16,18-19H,3-9,14H2,1-2H3;6-7,12-13,15-16,18H,3-5,8-11,14H2,1-2H3;4-5,10-11,13,15,21H,6-9,12,14H2,1-3H3;2*6-7,12-13,15,17H,3-5,8-11,14H2,1-2H3;3-4,9-10,12-13,19-20H,5-8,11H2,1-2H3;4-5,8-9,11,14,19H,3,6-7,10,12H2,1-2H3;3-4,9-10,12-13H,5-8,11H2,1-2H3/t17?,22-,23+;;;;;;13?,19-,20+;14-,19+;/m.......0./s1/i;;;13D;;;;;.

What are the key properties of 1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone has a molecular weight of 3633.90 g/mol, XLogP of 43.45, 47 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R,5S)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-butylpiperidin-1-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-(4-butylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]ethanone;1-[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 158507107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).