2-[[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]amino]-N,N-dimethylacetamide

C28H40N8O — CID 134330526

About 2-[[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]amino]-N,N-dimethylacetamide

2-[[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]amino]-N,N-dimethylacetamide (PubChem CID 134330526) has the molecular formula C28H40N8O and a molecular weight of 504.68 g/mol. Its IUPAC name is 2-[[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]amino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[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]amino]-N,N-dimethylacetamide
• PubChem CID: 134330526
• Molecular Formula: C28H40N8O
• Molecular Weight: 504.68 g/mol
• Exact Mass: 504.33
• IUPAC Name: 2-[[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]amino]-N,N-dimethylacetamide
• SMILES: Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NCC(=O)N(C)C)(CC3)CC4)C2)c2cnn(C)c2n1
• InChI: InChI=1S/C28H40N8O/c1-19-14-24(21-15-30-34(5)26(21)31-19)35-13-6-23-22(17-35)20(2)32-36(23)18-27-7-10-28(11-8-27,12-9-27)29-16-25(37)33(3)4/h14-15,29H,6-13,16-18H2,1-5H3
• InChIKey: RGDHEVHSEYQVPF-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 84.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.68
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[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]amino]-N,N-dimethylacetamide?

The IUPAC name of 2-[[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]amino]-N,N-dimethylacetamide (CID 134330526) is 2-[[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]amino]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[[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]amino]-N,N-dimethylacetamide?

The canonical SMILES for 2-[[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]amino]-N,N-dimethylacetamide is Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NCC(=O)N(C)C)(CC3)CC4)C2)c2cnn(C)c2n1.

What is the InChIKey of 2-[[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]amino]-N,N-dimethylacetamide?

The InChIKey is RGDHEVHSEYQVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N8O/c1-19-14-24(21-15-30-34(5)26(21)31-19)35-13-6-23-22(17-35)20(2)32-36(23)18-27-7-10-28(11-8-27,12-9-27)29-16-25(37)33(3)4/h14-15,29H,6-13,16-18H2,1-5H3.

What are the key properties of 2-[[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]amino]-N,N-dimethylacetamide?

2-[[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]amino]-N,N-dimethylacetamide has a molecular weight of 504.68 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[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]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 134330526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).