(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone

C23H19F3N4O4 — CID 176751312

IUPAC(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone
SMILESNc1nc2cnc(C(=O)N3CC[C@@H]4C[C@H]3c3ccc(OC(F)(F)F)cc3O4)cc2c2c1COC2
InChIInChI=1S/C23H19F3N4O4/c24-23(25,26)34-12-1-2-13-19-5-11(33-20(13)6-12)3-4-30(19)22(31)17-7-14-15-9-32-10-16(15)21(27)29-18(14)8-28-17/h1-2,6-8,11,19H,3-5,9-10H2,(H2,27,29)/t11-,19+/m1/s1
InChIKeyXGEIGHXLEXMPDJ-WYRIXSBYSA-N
MW472.42 g/mol
LogP3.88
Rot. Bonds2

About (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone

(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone (PubChem CID 176751312) has the molecular formula C23H19F3N4O4 and a molecular weight of 472.42 g/mol. Its IUPAC name is (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone
PubChem CID176751312
Molecular FormulaC23H19F3N4O4
Molecular Weight472.42 g/mol
Exact Mass472.14
IUPAC Name(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone
SMILESNc1nc2cnc(C(=O)N3CC[C@@H]4C[C@H]3c3ccc(OC(F)(F)F)cc3O4)cc2c2c1COC2
InChIInChI=1S/C23H19F3N4O4/c24-23(25,26)34-12-1-2-13-19-5-11(33-20(13)6-12)3-4-30(19)22(31)17-7-14-15-9-32-10-16(15)21(27)29-18(14)8-28-17/h1-2,6-8,11,19H,3-5,9-10H2,(H2,27,29)/t11-,19+/m1/s1
InChIKeyXGEIGHXLEXMPDJ-WYRIXSBYSA-N
XLogP3.88
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-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)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone?
The IUPAC name of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone (CID 176751312) is (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone.
What is the SMILES notation for (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone?
The canonical SMILES for (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone is Nc1nc2cnc(C(=O)N3CC[C@@H]4C[C@H]3c3ccc(OC(F)(F)F)cc3O4)cc2c2c1COC2.
What is the InChIKey of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone?
The InChIKey is XGEIGHXLEXMPDJ-WYRIXSBYSA-N. The full InChI is InChI=1S/C23H19F3N4O4/c24-23(25,26)34-12-1-2-13-19-5-11(33-20(13)6-12)3-4-30(19)22(31)17-7-14-15-9-32-10-16(15)21(27)29-18(14)8-28-17/h1-2,6-8,11,19H,3-5,9-10H2,(H2,27,29)/t11-,19+/m1/s1.
What are the key properties of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone?
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone has a molecular weight of 472.42 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 7 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)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone is sourced from PubChem (CID 176751312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).