7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal

C47H51F2N15O3 — CID 158324086

About 7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal

7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal (PubChem CID 158324086) has the molecular formula C47H51F2N15O3 and a molecular weight of 912.02 g/mol. Its IUPAC name is 7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal.

Molecular Properties

• Compound Name: 7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal
• PubChem CID: 158324086
• Molecular Formula: C47H51F2N15O3
• Molecular Weight: 912.02 g/mol
• Exact Mass: 911.43
• IUPAC Name: 7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal
• SMILES: COC(C=O)Cn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1.COC(CN1CC(F)(F)C1)Cn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1
• InChI: InChI=1S/C25H28F2N8O.C22H23N7O2/c1-16(2)17-7-24(33-29-9-17)32-23-5-4-21-22(31-23)6-18(8-28-21)19-10-30-35(11-19)13-20(36-3)12-34-14-25(26,27)15-34;1-14(2)15-7-22(28-24-9-15)27-21-5-4-19-20(26-21)6-16(8-23-19)17-10-25-29(11-17)12-18(13-30)31-3/h4-11,16,20H,12-15H2,1-3H3,(H,31,32,33);4-11,13-14,18H,12H2,1-3H3,(H,26,27,28)
• InChIKey: GPEUQRHLKGSWBU-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 201.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	912.02
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal?

The IUPAC name of 7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal (CID 158324086) is 7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal.

What is the SMILES notation for 7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal?

The canonical SMILES for 7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal is COC(C=O)Cn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1.COC(CN1CC(F)(F)C1)Cn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1.

What is the InChIKey of 7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal?

The InChIKey is GPEUQRHLKGSWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N8O.C22H23N7O2/c1-16(2)17-7-24(33-29-9-17)32-23-5-4-21-22(31-23)6-18(8-28-21)19-10-30-35(11-19)13-20(36-3)12-34-14-25(26,27)15-34;1-14(2)15-7-22(28-24-9-15)27-21-5-4-19-20(26-21)6-16(8-23-19)17-10-25-29(11-17)12-18(13-30)31-3/h4-11,16,20H,12-15H2,1-3H3,(H,31,32,33);4-11,13-14,18H,12H2,1-3H3,(H,26,27,28).

What are the key properties of 7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal?

7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal has a molecular weight of 912.02 g/mol, XLogP of 7.48, 17 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-[3-(3,3-difluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;2-methoxy-3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propanal is sourced from PubChem (CID 158324086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).