1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol

C28H38N8O2 — CID 139529256

About 1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol

1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol (PubChem CID 139529256) has the molecular formula C28H38N8O2 and a molecular weight of 518.67 g/mol. Its IUPAC name is 1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol.

Molecular Properties

• Compound Name: 1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol
• PubChem CID: 139529256
• Molecular Formula: C28H38N8O2
• Molecular Weight: 518.67 g/mol
• Exact Mass: 518.31
• IUPAC Name: 1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol
• SMILES: CC(O)c1cc2cnc(Nc3ccc4c(n3)CCN(CCN3CCOCC3)C4)nc2c(N2CCCCC2)n1
• InChI: InChI=1S/C28H38N8O2/c1-20(37)24-17-22-18-29-28(33-26(22)27(31-24)36-8-3-2-4-9-36)32-25-6-5-21-19-35(10-7-23(21)30-25)12-11-34-13-15-38-16-14-34/h5-6,17-18,20,37H,2-4,7-16,19H2,1H3,(H,29,30,32,33)
• InChIKey: LGHLCBCECHKGOQ-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 102.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.67
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol?

The IUPAC name of 1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol (CID 139529256) is 1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol.

What is the SMILES notation for 1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol?

The canonical SMILES for 1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol is CC(O)c1cc2cnc(Nc3ccc4c(n3)CCN(CCN3CCOCC3)C4)nc2c(N2CCCCC2)n1.

What is the InChIKey of 1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol?

The InChIKey is LGHLCBCECHKGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N8O2/c1-20(37)24-17-22-18-29-28(33-26(22)27(31-24)36-8-3-2-4-9-36)32-25-6-5-21-19-35(10-7-23(21)30-25)12-11-34-13-15-38-16-14-34/h5-6,17-18,20,37H,2-4,7-16,19H2,1H3,(H,29,30,32,33).

What are the key properties of 1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol?

1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol has a molecular weight of 518.67 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 139529256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).