1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol

C26H33N7O2 — CID 175554447

About 1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol

1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol (PubChem CID 175554447) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
• PubChem CID: 175554447
• Molecular Formula: C26H33N7O2
• Molecular Weight: 475.60 g/mol
• Exact Mass: 475.27
• IUPAC Name: 1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
• SMILES: C[C@@H]1CCN1c1ncc([C@H](C)C2COC2)c2cc(Nc3ccnc(N4CCC(O)CC4)n3)ncc12
• InChI: InChI=1S/C26H33N7O2/c1-16-4-10-33(16)25-22-13-28-24(11-20(22)21(12-29-25)17(2)18-14-35-15-18)30-23-3-7-27-26(31-23)32-8-5-19(34)6-9-32/h3,7,11-13,16-19,34H,4-6,8-10,14-15H2,1-2H3,(H,27,28,30,31)/t16-,17-/m1/s1
• InChIKey: HLAQAMQAYIKGGQ-IAGOWNOFSA-N
• XLogP: 3.47
• TPSA: 99.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.60
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol?

The IUPAC name of 1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol (CID 175554447) is 1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol.

What is the SMILES notation for 1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol?

The canonical SMILES for 1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol is C[C@@H]1CCN1c1ncc([C@H](C)C2COC2)c2cc(Nc3ccnc(N4CCC(O)CC4)n3)ncc12.

What is the InChIKey of 1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol?

The InChIKey is HLAQAMQAYIKGGQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-16-4-10-33(16)25-22-13-28-24(11-20(22)21(12-29-25)17(2)18-14-35-15-18)30-23-3-7-27-26(31-23)32-8-5-19(34)6-9-32/h3,7,11-13,16-19,34H,4-6,8-10,14-15H2,1-2H3,(H,27,28,30,31)/t16-,17-/m1/s1.

What are the key properties of 1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol?

1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 475.60 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-[(1R)-1-(oxetan-3-yl)ethyl]-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 175554447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).