1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one

C25H30N6O4 — CID 175633431

About 1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one

1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one (PubChem CID 175633431) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one.

Molecular Properties

• Compound Name: 1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one
• PubChem CID: 175633431
• Molecular Formula: C25H30N6O4
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.23
• IUPAC Name: 1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one
• SMILES: CC(=O)COc1ccnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)n1
• InChI: InChI=1S/C25H30N6O4/c1-17(32)16-34-23-8-10-27-25(30-23)28-18-4-6-19(7-5-18)35-24-20-3-2-9-26-21(20)15-22(29-24)31-11-13-33-14-12-31/h2-3,8-10,15,18-19H,4-7,11-14,16H2,1H3,(H,27,28,30)
• InChIKey: PNHVNDAGCNVQHE-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 111.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one?

The IUPAC name of 1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one (CID 175633431) is 1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one.

What is the SMILES notation for 1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one?

The canonical SMILES for 1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one is CC(=O)COc1ccnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)n1.

What is the InChIKey of 1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one?

The InChIKey is PNHVNDAGCNVQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-17(32)16-34-23-8-10-27-25(30-23)28-18-4-6-19(7-5-18)35-24-20-3-2-9-26-21(20)15-22(29-24)31-11-13-33-14-12-31/h2-3,8-10,15,18-19H,4-7,11-14,16H2,1H3,(H,27,28,30).

What are the key properties of 1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one?

1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one has a molecular weight of 478.55 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one is sourced from PubChem (CID 175633431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).