2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine

C53H73N15O2 — CID 138734566

About 2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine

2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine (PubChem CID 138734566) has the molecular formula C53H73N15O2 and a molecular weight of 955.29 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine.

Molecular Properties

• Compound Name: 2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine
• PubChem CID: 138734566
• Molecular Formula: C53H73N15O2
• Molecular Weight: 955.29 g/mol
• Exact Mass: 954.63
• IUPAC Name: 2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine
• SMILES: CC(=O)N(C)CC(=O)NC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2.[2H]C([2H])([2H])n1ncc2c(N3CCc4c(c(C)nn4CC45CCC(N)(CC4)CC5)C3)cc(C)nc21
• InChI: InChI=1S/C29H40N8O2.C24H33N7/c1-19-14-25(22-15-30-35(5)27(22)31-19)36-13-6-24-23(16-36)20(2)33-37(24)18-28-7-10-29(11-8-28,12-9-28)32-26(39)17-34(4)21(3)38;1-16-12-21(18-13-26-29(3)22(18)27-16)30-11-4-20-19(14-30)17(2)28-31(20)15-23-5-8-24(25,9-6-23)10-7-23/h14-15H,6-13,16-18H2,1-5H3,(H,32,39);12-13H,4-11,14-15,25H2,1-3H3/i;3D3
• InChIKey: LHONQGJGNMSJPH-XKZDVGFASA-N
• XLogP: 6.43
• TPSA: 178.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	955.29
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine?

The IUPAC name of 2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine (CID 138734566) is 2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine.

What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine?

The canonical SMILES for 2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine is CC(=O)N(C)CC(=O)NC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2.[2H]C([2H])([2H])n1ncc2c(N3CCc4c(c(C)nn4CC45CCC(N)(CC4)CC5)C3)cc(C)nc21.

What is the InChIKey of 2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine?

The InChIKey is LHONQGJGNMSJPH-XKZDVGFASA-N. The full InChI is InChI=1S/C29H40N8O2.C24H33N7/c1-19-14-25(22-15-30-35(5)27(22)31-19)36-13-6-24-23(16-36)20(2)33-37(24)18-28-7-10-29(11-8-28,12-9-28)32-26(39)17-34(4)21(3)38;1-16-12-21(18-13-26-29(3)22(18)27-16)30-11-4-20-19(14-30)17(2)28-31(20)15-23-5-8-24(25,9-6-23)10-7-23/h14-15H,6-13,16-18H2,1-5H3,(H,32,39);12-13H,4-11,14-15,25H2,1-3H3/i;3D3.

What are the key properties of 2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine?

2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine has a molecular weight of 955.29 g/mol, XLogP of 6.43, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 138734566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).