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

C25H20FN9O — CID 137250641

About 1-[[5-[4-fluoro-3-(4-pyridin-4-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-pyridin-4-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 137250641) has the molecular formula C25H20FN9O and a molecular weight of 481.50 g/mol. Its IUPAC name is 1-[[5-[4-fluoro-3-(4-pyridin-4-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-pyridin-4-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: 137250641
• Molecular Formula: C25H20FN9O
• Molecular Weight: 481.50 g/mol
• Exact Mass: 481.18
• IUPAC Name: 1-[[5-[4-fluoro-3-(4-pyridin-4-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(-c6ccncc6)nccc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C25H20FN9O/c1-2-18(36)31-15-9-14(10-28-11-15)21-20(26)19-17(12-30-21)34-35-24(19)25-32-16-5-8-29-22(23(16)33-25)13-3-6-27-7-4-13/h3-12,18,31,36H,2H2,1H3,(H,32,33)(H,34,35)
• InChIKey: JIZZIZOWAMMTJA-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 141.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.50
LogP ≤ 5	4.30
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-pyridin-4-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-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol (CID 137250641) is 1-[[5-[4-fluoro-3-(4-pyridin-4-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-pyridin-4-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-pyridin-4-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(-c6ccncc6)nccc5[nH]4)c3c2F)c1.

What is the InChIKey of 1-[[5-[4-fluoro-3-(4-pyridin-4-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 JIZZIZOWAMMTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN9O/c1-2-18(36)31-15-9-14(10-28-11-15)21-20(26)19-17(12-30-21)34-35-24(19)25-32-16-5-8-29-22(23(16)33-25)13-3-6-27-7-4-13/h3-12,18,31,36H,2H2,1H3,(H,32,33)(H,34,35).

What are the key properties of 1-[[5-[4-fluoro-3-(4-pyridin-4-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-pyridin-4-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 481.50 g/mol, XLogP of 4.30, 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-pyridin-4-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 137250641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).