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

C23H23F3N4O4 — CID 164798507

IUPAC[(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
SMILESC[C@H]1OCc2c1c(N)nc1c2=CC(C(=O)N2CCOC[C@@H]2c2ccc(OC(F)(F)F)cc2)NC=1
InChIInChI=1S/C23H23F3N4O4/c1-12-20-16(10-33-12)15-8-17(28-9-18(15)29-21(20)27)22(31)30-6-7-32-11-19(30)13-2-4-14(5-3-13)34-23(24,25)26/h2-5,8-9,12,17,19,28H,6-7,10-11H2,1H3,(H2,27,29)/t12-,17?,19-/m1/s1
InChIKeyXZFDGDVYGGRDEI-AZOXIEDXSA-N
MW476.46 g/mol
LogP1.24
Rot. Bonds3

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

[(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone (PubChem CID 164798507) has the molecular formula C23H23F3N4O4 and a molecular weight of 476.46 g/mol. Its IUPAC name is [(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
PubChem CID164798507
Molecular FormulaC23H23F3N4O4
Molecular Weight476.46 g/mol
Exact Mass476.17
IUPAC Name[(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
SMILESC[C@H]1OCc2c1c(N)nc1c2=CC(C(=O)N2CCOC[C@@H]2c2ccc(OC(F)(F)F)cc2)NC=1
InChIInChI=1S/C23H23F3N4O4/c1-12-20-16(10-33-12)15-8-17(28-9-18(15)29-21(20)27)22(31)30-6-7-32-11-19(30)13-2-4-14(5-3-13)34-23(24,25)26/h2-5,8-9,12,17,19,28H,6-7,10-11H2,1H3,(H2,27,29)/t12-,17?,19-/m1/s1
InChIKeyXZFDGDVYGGRDEI-AZOXIEDXSA-N
XLogP1.24
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798385
[(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
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798460
[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone
CID 164981184
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798430
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-(difluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798559
[(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
1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663815
tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate
CID 67388382
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone
CID 164798691
4-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]benzoic acid
CID 167734448
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-chloro-3-pyridinyl)-5-methylmorpholin-4-yl]methanone
CID 164798711

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The IUPAC name of [(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone (CID 164798507) is [(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for [(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for [(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone is C[C@H]1OCc2c1c(N)nc1c2=CC(C(=O)N2CCOC[C@@H]2c2ccc(OC(F)(F)F)cc2)NC=1.
What is the InChIKey of [(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The InChIKey is XZFDGDVYGGRDEI-AZOXIEDXSA-N. The full InChI is InChI=1S/C23H23F3N4O4/c1-12-20-16(10-33-12)15-8-17(28-9-18(15)29-21(20)27)22(31)30-6-7-32-11-19(30)13-2-4-14(5-3-13)34-23(24,25)26/h2-5,8-9,12,17,19,28H,6-7,10-11H2,1H3,(H2,27,29)/t12-,17?,19-/m1/s1.
What are the key properties of [(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
[(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone has a molecular weight of 476.46 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).