[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone

C23H22F3N5O3 — CID 164798367

About [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone

[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone (PubChem CID 164798367) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
• PubChem CID: 164798367
• Molecular Formula: C23H22F3N5O3
• Molecular Weight: 473.46 g/mol
• Exact Mass: 473.17
• IUPAC Name: [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
• SMILES: C[C@H]1OCc2c1c(N)nc1cnc(C(=O)N3[C@@H](C)COC[C@H]3c3ccc(C(F)(F)F)nc3)cc21
• InChI: InChI=1S/C23H22F3N5O3/c1-11-8-33-10-18(13-3-4-19(29-6-13)23(24,25)26)31(11)22(32)16-5-14-15-9-34-12(2)20(15)21(27)30-17(14)7-28-16/h3-7,11-12,18H,8-10H2,1-2H3,(H2,27,30)/t11-,12+,18-/m0/s1
• InChIKey: MIPFSRPAMXWSRJ-IUUKEHGRSA-N
• XLogP: 3.82
• TPSA: 103.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.46
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone?

The IUPAC name of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone (CID 164798367) is [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone.

What is the SMILES notation for [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone?

The canonical SMILES for [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone is C[C@H]1OCc2c1c(N)nc1cnc(C(=O)N3[C@@H](C)COC[C@H]3c3ccc(C(F)(F)F)nc3)cc21.

What is the InChIKey of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone?

The InChIKey is MIPFSRPAMXWSRJ-IUUKEHGRSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-11-8-33-10-18(13-3-4-19(29-6-13)23(24,25)26)31(11)22(32)16-5-14-15-9-34-12(2)20(15)21(27)30-17(14)7-28-16/h3-7,11-12,18H,8-10H2,1-2H3,(H2,27,30)/t11-,12+,18-/m0/s1.

What are the key properties of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone?

[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 473.46 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).