N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide

C26H36FN7O — CID 139311143

About N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide

N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide (PubChem CID 139311143) has the molecular formula C26H36FN7O and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide.

Molecular Properties

• Compound Name: N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide
• PubChem CID: 139311143
• Molecular Formula: C26H36FN7O
• Molecular Weight: 481.62 g/mol
• Exact Mass: 481.30
• IUPAC Name: N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide
• SMILES: Cc1cc(N2CCc3c(c(C)nn3CCCCCNC(=O)CC3CC(F)C3)C2)c2cnn(C)c2n1
• InChI: InChI=1S/C26H36FN7O/c1-17-11-24(21-15-29-32(3)26(21)30-17)33-10-7-23-22(16-33)18(2)31-34(23)9-6-4-5-8-28-25(35)14-19-12-20(27)13-19/h11,15,19-20H,4-10,12-14,16H2,1-3H3,(H,28,35)
• InChIKey: RLYUBCCVISTPJK-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.62
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide?

The IUPAC name of N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide (CID 139311143) is N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide.

What is the SMILES notation for N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide?

The canonical SMILES for N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide is Cc1cc(N2CCc3c(c(C)nn3CCCCCNC(=O)CC3CC(F)C3)C2)c2cnn(C)c2n1.

What is the InChIKey of N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide?

The InChIKey is RLYUBCCVISTPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN7O/c1-17-11-24(21-15-29-32(3)26(21)30-17)33-10-7-23-22(16-33)18(2)31-34(23)9-6-4-5-8-28-25(35)14-19-12-20(27)13-19/h11,15,19-20H,4-10,12-14,16H2,1-3H3,(H,28,35).

What are the key properties of N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide?

N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide has a molecular weight of 481.62 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide is sourced from PubChem (CID 139311143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).