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

C23H21F3N4O3 — CID 164798742

IUPAC(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESC[C@@H]1COC[C@H](c2ccc(C(F)(F)F)cc2)N1C(=O)c1cc2c3c(c(N)nc2cn1)COC3
InChIInChI=1S/C23H21F3N4O3/c1-12-8-32-11-20(13-2-4-14(5-3-13)23(24,25)26)30(12)22(31)18-6-15-16-9-33-10-17(16)21(27)29-19(15)7-28-18/h2-7,12,20H,8-11H2,1H3,(H2,27,29)/t12-,20-/m1/s1
InChIKeyYSPVNEABKLERGA-MPBGBICISA-N
MW458.44 g/mol
LogP3.86
Rot. Bonds2

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

(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 164798742) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
PubChem CID164798742
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESC[C@@H]1COC[C@H](c2ccc(C(F)(F)F)cc2)N1C(=O)c1cc2c3c(c(N)nc2cn1)COC3
InChIInChI=1S/C23H21F3N4O3/c1-12-8-32-11-20(13-2-4-14(5-3-13)23(24,25)26)30(12)22(31)18-6-15-16-9-33-10-17(16)21(27)29-19(15)7-28-18/h2-7,12,20H,8-11H2,1H3,(H2,27,29)/t12-,20-/m1/s1
InChIKeyYSPVNEABKLERGA-MPBGBICISA-N
XLogP3.86
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 164798742) is (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is C[C@@H]1COC[C@H](c2ccc(C(F)(F)F)cc2)N1C(=O)c1cc2c3c(c(N)nc2cn1)COC3.
What is the InChIKey of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is YSPVNEABKLERGA-MPBGBICISA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-12-8-32-11-20(13-2-4-14(5-3-13)23(24,25)26)30(12)22(31)18-6-15-16-9-33-10-17(16)21(27)29-19(15)7-28-18/h2-7,12,20H,8-11H2,1H3,(H2,27,29)/t12-,20-/m1/s1.
What are the key properties of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 458.44 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).