[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

C23H20F4N4O3 — CID 164798589

About [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 164798589) has the molecular formula C23H20F4N4O3 and a molecular weight of 476.43 g/mol. Its IUPAC name is [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
• PubChem CID: 164798589
• Molecular Formula: C23H20F4N4O3
• Molecular Weight: 476.43 g/mol
• Exact Mass: 476.15
• IUPAC Name: [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
• SMILES: C[C@@H]1OCc2c1c(N)nc1cnc(C(=O)N3CCOC[C@@H]3c3ccc(F)c(C(F)(F)F)c3)cc21
• InChI: InChI=1S/C23H20F4N4O3/c1-11-20-14(9-34-11)13-7-17(29-8-18(13)30-21(20)28)22(32)31-4-5-33-10-19(31)12-2-3-16(24)15(6-12)23(25,26)27/h2-3,6-8,11,19H,4-5,9-10H2,1H3,(H2,28,30)/t11-,19+/m0/s1
• InChIKey: RQEYAOMOWLCBGY-JEOXALJRSA-N
• XLogP: 4.17
• TPSA: 90.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.43
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?

The IUPAC name of [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 164798589) is [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

What is the SMILES notation for [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?

The canonical SMILES for [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is C[C@@H]1OCc2c1c(N)nc1cnc(C(=O)N3CCOC[C@@H]3c3ccc(F)c(C(F)(F)F)c3)cc21.

What is the InChIKey of [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?

The InChIKey is RQEYAOMOWLCBGY-JEOXALJRSA-N. The full InChI is InChI=1S/C23H20F4N4O3/c1-11-20-14(9-34-11)13-7-17(29-8-18(13)30-21(20)28)22(32)31-4-5-33-10-19(31)12-2-3-16(24)15(6-12)23(25,26)27/h2-3,6-8,11,19H,4-5,9-10H2,1H3,(H2,28,30)/t11-,19+/m0/s1.

What are the key properties of [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?

[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 476.43 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).