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]-N-methylbicyclo[2.2.2]octan-1-amine

C25H35N7 — CID 134330573

About 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]-N-methylbicyclo[2.2.2]octan-1-amine

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]-N-methylbicyclo[2.2.2]octan-1-amine (PubChem CID 134330573) has the molecular formula C25H35N7 and a molecular weight of 433.60 g/mol. Its IUPAC name is 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]-N-methylbicyclo[2.2.2]octan-1-amine.

Molecular Properties

• Compound Name: 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]-N-methylbicyclo[2.2.2]octan-1-amine
• PubChem CID: 134330573
• Molecular Formula: C25H35N7
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.30
• IUPAC Name: 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]-N-methylbicyclo[2.2.2]octan-1-amine
• SMILES: CNC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2
• InChI: InChI=1S/C25H35N7/c1-17-13-22(19-14-27-30(4)23(19)28-17)31-12-5-21-20(15-31)18(2)29-32(21)16-24-6-9-25(26-3,10-7-24)11-8-24/h13-14,26H,5-12,15-16H2,1-4H3
• InChIKey: HYNDDXACQHHUHD-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 63.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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]-N-methylbicyclo[2.2.2]octan-1-amine?

The IUPAC name of 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]-N-methylbicyclo[2.2.2]octan-1-amine (CID 134330573) is 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]-N-methylbicyclo[2.2.2]octan-1-amine.

What is the SMILES notation for 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]-N-methylbicyclo[2.2.2]octan-1-amine?

The canonical SMILES for 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]-N-methylbicyclo[2.2.2]octan-1-amine is CNC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2.

What is the InChIKey of 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]-N-methylbicyclo[2.2.2]octan-1-amine?

The InChIKey is HYNDDXACQHHUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7/c1-17-13-22(19-14-27-30(4)23(19)28-17)31-12-5-21-20(15-31)18(2)29-32(21)16-24-6-9-25(26-3,10-7-24)11-8-24/h13-14,26H,5-12,15-16H2,1-4H3.

What are the key properties of 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]-N-methylbicyclo[2.2.2]octan-1-amine?

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]-N-methylbicyclo[2.2.2]octan-1-amine has a molecular weight of 433.60 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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]-N-methylbicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 134330573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).