N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine

C27H40N8O — CID 134330534

About N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine

N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine (PubChem CID 134330534) has the molecular formula C27H40N8O and a molecular weight of 492.67 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine
• PubChem CID: 134330534
• Molecular Formula: C27H40N8O
• Molecular Weight: 492.67 g/mol
• Exact Mass: 492.33
• IUPAC Name: N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine
• SMILES: COCCNC12CCC(Cn3nc(C)c4c3CCN(c3nc(C)nc5c(C)nn(C)c35)C4)(CC1)CC2
• InChI: InChI=1S/C27H40N8O/c1-18-21-16-34(25-24-23(29-20(3)30-25)19(2)31-33(24)4)14-6-22(21)35(32-18)17-26-7-10-27(11-8-26,12-9-26)28-13-15-36-5/h28H,6-17H2,1-5H3
• InChIKey: GLWIFSDFJOAMCU-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 85.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.67
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine?

The IUPAC name of N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine (CID 134330534) is N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-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 N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine?

The canonical SMILES for N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine is COCCNC12CCC(Cn3nc(C)c4c3CCN(c3nc(C)nc5c(C)nn(C)c35)C4)(CC1)CC2.

What is the InChIKey of N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine?

The InChIKey is GLWIFSDFJOAMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N8O/c1-18-21-16-34(25-24-23(29-20(3)30-25)19(2)31-33(24)4)14-6-22(21)35(32-18)17-26-7-10-27(11-8-26,12-9-26)28-13-15-36-5/h28H,6-17H2,1-5H3.

What are the key properties of N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine?

N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-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 492.67 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-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 134330534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).