[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]-1-bicyclo[2.2.2]octanyl]carbamic acid

C25H34N8O2 — CID 134330618

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]-1-bicyclo[2.2.2]octanyl]carbamic acid

[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]-1-bicyclo[2.2.2]octanyl]carbamic acid (PubChem CID 134330618) has the molecular formula C25H34N8O2 and a molecular weight of 478.60 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]-1-bicyclo[2.2.2]octanyl]carbamic acid.

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]-1-bicyclo[2.2.2]octanyl]carbamic acid
• PubChem CID: 134330618
• Molecular Formula: C25H34N8O2
• Molecular Weight: 478.60 g/mol
• Exact Mass: 478.28
• 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]-1-bicyclo[2.2.2]octanyl]carbamic acid
• SMILES: Cc1nc(N2CCc3c(c(C)nn3CC34CCC(NC(=O)O)(CC3)CC4)C2)c2c(n1)c(C)nn2C
• InChI: InChI=1S/C25H34N8O2/c1-15-18-13-32(22-21-20(26-17(3)27-22)16(2)29-31(21)4)12-5-19(18)33(30-15)14-24-6-9-25(10-7-24,11-8-24)28-23(34)35/h28H,5-14H2,1-4H3,(H,34,35)
• InChIKey: IDZQNVUDXRYCJO-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 113.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.60
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
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]-1-bicyclo[2.2.2]octanyl]carbamic acid?

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]-1-bicyclo[2.2.2]octanyl]carbamic acid (CID 134330618) 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]-1-bicyclo[2.2.2]octanyl]carbamic acid.

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]-1-bicyclo[2.2.2]octanyl]carbamic acid?

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]-1-bicyclo[2.2.2]octanyl]carbamic acid is Cc1nc(N2CCc3c(c(C)nn3CC34CCC(NC(=O)O)(CC3)CC4)C2)c2c(n1)c(C)nn2C.

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]-1-bicyclo[2.2.2]octanyl]carbamic acid?

The InChIKey is IDZQNVUDXRYCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8O2/c1-15-18-13-32(22-21-20(26-17(3)27-22)16(2)29-31(21)4)12-5-19(18)33(30-15)14-24-6-9-25(10-7-24,11-8-24)28-23(34)35/h28H,5-14H2,1-4H3,(H,34,35).

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]-1-bicyclo[2.2.2]octanyl]carbamic acid?

[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]-1-bicyclo[2.2.2]octanyl]carbamic acid has a molecular weight of 478.60 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 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]-1-bicyclo[2.2.2]octanyl]carbamic acid is sourced from PubChem (CID 134330618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).