1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol

C26H23N7O2 — CID 137291811

About 1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol

1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol (PubChem CID 137291811) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol.

Molecular Properties

• Compound Name: 1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol
• PubChem CID: 137291811
• Molecular Formula: C26H23N7O2
• Molecular Weight: 465.52 g/mol
• Exact Mass: 465.19
• IUPAC Name: 1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol
• SMILES: CC(C)C(O)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccoc6)cccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C26H23N7O2/c1-14(2)26(34)29-17-8-16(10-27-11-17)21-9-19-22(12-28-21)32-33-24(19)25-30-20-5-3-4-18(23(20)31-25)15-6-7-35-13-15/h3-14,26,29,34H,1-2H3,(H,30,31)(H,32,33)
• InChIKey: IZHVBHPZYFUPNZ-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 128.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.52
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol?

The IUPAC name of 1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol (CID 137291811) is 1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol.

What is the SMILES notation for 1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol?

The canonical SMILES for 1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol is CC(C)C(O)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccoc6)cccc5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of 1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol?

The InChIKey is IZHVBHPZYFUPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-14(2)26(34)29-17-8-16(10-27-11-17)21-9-19-22(12-28-21)32-33-24(19)25-30-20-5-3-4-18(23(20)31-25)15-6-7-35-13-15/h3-14,26,29,34H,1-2H3,(H,30,31)(H,32,33).

What are the key properties of 1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol?

1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol has a molecular weight of 465.52 g/mol, XLogP of 5.21, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 137291811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).