6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate

C61H50AuBr3Cl3F4N13O3 — CID 158613950

About 6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate

6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate (PubChem CID 158613950) has the molecular formula C61H50AuBr3Cl3F4N13O3 and a molecular weight of 1632.19 g/mol. Its IUPAC name is 6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate.

Molecular Properties

• Compound Name: 6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate
• PubChem CID: 158613950
• Molecular Formula: C61H50AuBr3Cl3F4N13O3
• Molecular Weight: 1632.19 g/mol
• Exact Mass: 1627.04
• IUPAC Name: 6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate
• SMILES: Brc1ccc2cnccc2c1.CC(=O)c1nccc2cc(Br)ccc12.CC(F)(F)c1nccc2cc(Br)ccc12.CC(F)(F)c1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.COc1ccc(Cn2nc(N)c3ncccc32)cc1.Cl[Au](Cl)Cl.O
• InChI: InChI=1S/C16H12F2N6.C14H14N4O.C11H8BrF2N.C11H8BrNO.C9H6BrN.Au.3ClH.H2O/c1-16(17,18)13-11-3-2-10(8-9(11)4-5-20-13)22-15-12-14(23-24-15)21-7-6-19-12;1-19-11-6-4-10(5-7-11)9-18-12-3-2-8-16-13(12)14(15)17-18;1-11(13,14)10-9-3-2-8(12)6-7(9)4-5-15-10;1-7(14)11-10-3-2-9(12)6-8(10)4-5-13-11;10-9-2-1-8-6-11-4-3-7(8)5-9;;;;;/h2-8H,1H3,(H2,21,22,23,24);2-8H,9H2,1H3,(H2,15,17);2-6H,1H3;2-6H,1H3;1-6H;;3*1H;1H2/q;;;;;+3;;;;/p-3
• InChIKey: POGFTVRNRSOXEI-UHFFFAOYSA-K
• XLogP: 17.37
• TPSA: 232.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1632.19
LogP ≤ 5	17.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate?

The IUPAC name of 6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate (CID 158613950) is 6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate.

What is the SMILES notation for 6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate?

The canonical SMILES for 6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate is Brc1ccc2cnccc2c1.CC(=O)c1nccc2cc(Br)ccc12.CC(F)(F)c1nccc2cc(Br)ccc12.CC(F)(F)c1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.COc1ccc(Cn2nc(N)c3ncccc32)cc1.Cl[Au](Cl)Cl.O.

What is the InChIKey of 6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate?

The InChIKey is POGFTVRNRSOXEI-UHFFFAOYSA-K. The full InChI is InChI=1S/C16H12F2N6.C14H14N4O.C11H8BrF2N.C11H8BrNO.C9H6BrN.Au.3ClH.H2O/c1-16(17,18)13-11-3-2-10(8-9(11)4-5-20-13)22-15-12-14(23-24-15)21-7-6-19-12;1-19-11-6-4-10(5-7-11)9-18-12-3-2-8-16-13(12)14(15)17-18;1-11(13,14)10-9-3-2-8(12)6-7(9)4-5-15-10;1-7(14)11-10-3-2-9(12)6-8(10)4-5-13-11;10-9-2-1-8-6-11-4-3-7(8)5-9;;;;;/h2-8H,1H3,(H2,21,22,23,24);2-8H,9H2,1H3,(H2,15,17);2-6H,1H3;2-6H,1H3;1-6H;;3*1H;1H2/q;;;;;+3;;;;/p-3.

What are the key properties of 6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate?

6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate has a molecular weight of 1632.19 g/mol, XLogP of 17.37, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate is sourced from PubChem (CID 158613950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).