2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone

C27H29F3N8O2 — CID 66807603

About 2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone

2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 66807603) has the molecular formula C27H29F3N8O2 and a molecular weight of 554.58 g/mol. Its IUPAC name is 2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
• PubChem CID: 66807603
• Molecular Formula: C27H29F3N8O2
• Molecular Weight: 554.58 g/mol
• Exact Mass: 554.24
• IUPAC Name: 2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
• SMILES: Cc1nc2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)nc3c2n1C1CCN(CC(=O)N2CCOCC2)CC1
• InChI: InChI=1S/C27H29F3N8O2/c1-16-34-22-14-32-21-3-2-20(17-12-19(27(28,29)30)26(31)33-13-17)35-24(21)25(22)38(16)18-4-6-36(7-5-18)15-23(39)37-8-10-40-11-9-37/h2-3,12-14,18H,4-11,15H2,1H3,(H2,31,33)
• InChIKey: RYQNRAWBUXAPOU-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 115.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.58
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?

The IUPAC name of 2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 66807603) is 2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.

What is the SMILES notation for 2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?

The canonical SMILES for 2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is Cc1nc2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)nc3c2n1C1CCN(CC(=O)N2CCOCC2)CC1.

What is the InChIKey of 2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?

The InChIKey is RYQNRAWBUXAPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N8O2/c1-16-34-22-14-32-21-3-2-20(17-12-19(27(28,29)30)26(31)33-13-17)35-24(21)25(22)38(16)18-4-6-36(7-5-18)15-23(39)37-8-10-40-11-9-37/h2-3,12-14,18H,4-11,15H2,1H3,(H2,31,33).

What are the key properties of 2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?

2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 554.58 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 66807603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).