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

C25H33N7O2 — CID 166546973

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

4-(hydroxymethyl)-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol (PubChem CID 166546973) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 4-(hydroxymethyl)-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
• PubChem CID: 166546973
• Molecular Formula: C25H33N7O2
• Molecular Weight: 463.59 g/mol
• Exact Mass: 463.27
• IUPAC Name: 4-(hydroxymethyl)-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
• SMILES: CC(C)c1cnc(N2CC[C@H]2C)c2cnc(Nc3ccnc(N4CCC(O)(CO)CC4)n3)cc12
• InChI: InChI=1S/C25H33N7O2/c1-16(2)19-13-28-23(32-9-5-17(32)3)20-14-27-22(12-18(19)20)29-21-4-8-26-24(30-21)31-10-6-25(34,15-33)7-11-31/h4,8,12-14,16-17,33-34H,5-7,9-11,15H2,1-3H3,(H,26,27,29,30)/t17-/m1/s1
• InChIKey: WZWQXMNZCKUSKT-QGZVFWFLSA-N
• XLogP: 3.21
• TPSA: 110.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.59
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-(hydroxymethyl)-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol (CID 166546973) is 4-(hydroxymethyl)-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol.

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

The canonical SMILES for 4-(hydroxymethyl)-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol is CC(C)c1cnc(N2CC[C@H]2C)c2cnc(Nc3ccnc(N4CCC(O)(CO)CC4)n3)cc12.

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

The InChIKey is WZWQXMNZCKUSKT-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-16(2)19-13-28-23(32-9-5-17(32)3)20-14-27-22(12-18(19)20)29-21-4-8-26-24(30-21)31-10-6-25(34,15-33)7-11-31/h4,8,12-14,16-17,33-34H,5-7,9-11,15H2,1-3H3,(H,26,27,29,30)/t17-/m1/s1.

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

4-(hydroxymethyl)-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 463.59 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(hydroxymethyl)-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 166546973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).