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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine

C26H38N8 — CID 134330541

About 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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine

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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine (PubChem CID 134330541) has the molecular formula C26H38N8 and a molecular weight of 468.68 g/mol. Its IUPAC name is 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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine.

Molecular Properties

• Compound Name: 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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine
• PubChem CID: 134330541
• Molecular Formula: C26H38N8
• Molecular Weight: 468.68 g/mol
• Exact Mass: 468.36
• IUPAC Name: 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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine
• SMILES: [2H]C([2H])([2H])N(C([2H])([2H])[2H])C12CCC(Cn3nc(C)c4c3CCN(c3nc(C)nc5c(C)nn(C)c35)C4)(CC1)CC2
• InChI: InChI=1S/C26H38N8/c1-17-20-15-33(24-23-22(27-19(3)28-24)18(2)29-32(23)6)14-7-21(20)34(30-17)16-25-8-11-26(12-9-25,13-10-25)31(4)5/h7-16H2,1-6H3/i4D3,5D3
• InChIKey: GMHQSMCIZDKVFN-RKAHMFOGSA-N
• XLogP: 3.70
• TPSA: 67.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.68
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine?

The IUPAC name of 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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine (CID 134330541) is 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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine.

What is the SMILES notation for 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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine?

The canonical SMILES for 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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine is [2H]C([2H])([2H])N(C([2H])([2H])[2H])C12CCC(Cn3nc(C)c4c3CCN(c3nc(C)nc5c(C)nn(C)c35)C4)(CC1)CC2.

What is the InChIKey of 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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine?

The InChIKey is GMHQSMCIZDKVFN-RKAHMFOGSA-N. The full InChI is InChI=1S/C26H38N8/c1-17-20-15-33(24-23-22(27-19(3)28-24)18(2)29-32(23)6)14-7-21(20)34(30-17)16-25-8-11-26(12-9-25,13-10-25)31(4)5/h7-16H2,1-6H3/i4D3,5D3.

What are the key properties of 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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine?

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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine has a molecular weight of 468.68 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 134330541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).