3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol

C25H23ClF2N4O2 — CID 159978556

About 3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol

3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol (PubChem CID 159978556) has the molecular formula C25H23ClF2N4O2 and a molecular weight of 484.93 g/mol. Its IUPAC name is 3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol
• PubChem CID: 159978556
• Molecular Formula: C25H23ClF2N4O2
• Molecular Weight: 484.93 g/mol
• Exact Mass: 484.15
• IUPAC Name: 3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol
• SMILES: OCCCc1cnc2ccc(-c3cn(C4CCCCO4)nc3-c3cc(Cl)c(F)cc3F)nc2c1
• InChI: InChI=1S/C25H23ClF2N4O2/c26-18-11-16(19(27)12-20(18)28)25-17(14-32(31-25)24-5-1-2-9-34-24)21-6-7-22-23(30-21)10-15(13-29-22)4-3-8-33/h6-7,10-14,24,33H,1-5,8-9H2
• InChIKey: FAPJEUDEVVZAGJ-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 73.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.93
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol?

The IUPAC name of 3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol (CID 159978556) is 3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol.

What is the SMILES notation for 3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol?

The canonical SMILES for 3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol is OCCCc1cnc2ccc(-c3cn(C4CCCCO4)nc3-c3cc(Cl)c(F)cc3F)nc2c1.

What is the InChIKey of 3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol?

The InChIKey is FAPJEUDEVVZAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF2N4O2/c26-18-11-16(19(27)12-20(18)28)25-17(14-32(31-25)24-5-1-2-9-34-24)21-6-7-22-23(30-21)10-15(13-29-22)4-3-8-33/h6-7,10-14,24,33H,1-5,8-9H2.

What are the key properties of 3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol?

3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol has a molecular weight of 484.93 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol is sourced from PubChem (CID 159978556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).