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

C24H19FN8O2 — CID 137232621

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

1-[[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol (PubChem CID 137232621) has the molecular formula C24H19FN8O2 and a molecular weight of 470.47 g/mol. Its IUPAC name is 1-[[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol.

Molecular Properties

• Compound Name: 1-[[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol
• PubChem CID: 137232621
• Molecular Formula: C24H19FN8O2
• Molecular Weight: 470.47 g/mol
• Exact Mass: 470.16
• IUPAC Name: 1-[[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol
• SMILES: CCC(O)Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C24H19FN8O2/c1-2-17(34)29-14-7-13(8-26-9-14)20-19(25)18-16(10-28-20)32-33-23(18)24-30-15-3-5-27-21(22(15)31-24)12-4-6-35-11-12/h3-11,17,29,34H,2H2,1H3,(H,30,31)(H,32,33)
• InChIKey: VBUBTJLEALBATA-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 141.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.47
LogP ≤ 5	4.50
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-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol?

The IUPAC name of 1-[[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol (CID 137232621) is 1-[[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol.

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

The canonical SMILES for 1-[[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol is CCC(O)Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2F)c1.

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

The InChIKey is VBUBTJLEALBATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8O2/c1-2-17(34)29-14-7-13(8-26-9-14)20-19(25)18-16(10-28-20)32-33-23(18)24-30-15-3-5-27-21(22(15)31-24)12-4-6-35-11-12/h3-11,17,29,34H,2H2,1H3,(H,30,31)(H,32,33).

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

1-[[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol has a molecular weight of 470.47 g/mol, XLogP of 4.50, 6 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-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 137232621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).