1-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol

C26H23FN8O2 — CID 137232584

About 1-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol

1-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 137232584) has the molecular formula C26H23FN8O2 and a molecular weight of 498.52 g/mol. Its IUPAC name is 1-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

• Compound Name: 1-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol
• PubChem CID: 137232584
• Molecular Formula: C26H23FN8O2
• Molecular Weight: 498.52 g/mol
• Exact Mass: 498.19
• IUPAC Name: 1-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol
• SMILES: CC(C)(C)C(O)Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C26H23FN8O2/c1-26(2,3)25(36)31-15-6-14(7-28-8-15)21-20(27)19-17(11-30-21)34-35-23(19)24-32-18-10-29-9-16(22(18)33-24)13-4-5-37-12-13/h4-12,25,31,36H,1-3H3,(H,32,33)(H,34,35)
• InChIKey: HEPQEVLYLRUUHR-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 141.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.52
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

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-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol?

The IUPAC name of 1-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol (CID 137232584) is 1-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol.

What is the SMILES notation for 1-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol?

The canonical SMILES for 1-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2F)c1.

What is the InChIKey of 1-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol?

The InChIKey is HEPQEVLYLRUUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8O2/c1-26(2,3)25(36)31-15-6-14(7-28-8-15)21-20(27)19-17(11-30-21)34-35-23(19)24-32-18-10-29-9-16(22(18)33-24)13-4-5-37-12-13/h4-12,25,31,36H,1-3H3,(H,32,33)(H,34,35).

What are the key properties of 1-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol?

1-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 498.52 g/mol, XLogP of 5.13, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 137232584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).