[(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone

C24H26F3N5O3 — CID 177205273

IUPAC[(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone
SMILESC[C@H]1OCc2c3c(nc(N)c21)CN[C@@H](C(=O)N1CCC[C@@H]2OCc4nc(C(F)(F)F)ccc4[C@@H]21)C3
InChIInChI=1S/C24H26F3N5O3/c1-11-20-14(9-34-11)13-7-15(29-8-16(13)31-22(20)28)23(33)32-6-2-3-18-21(32)12-4-5-19(24(25,26)27)30-17(12)10-35-18/h4-5,11,15,18,21,29H,2-3,6-10H2,1H3,(H2,28,31)/t11-,15-,18+,21+/m1/s1
InChIKeyCHTBYLSMIDFBIF-VVPMSBQWSA-N
MW489.50 g/mol
LogP2.95
Rot. Bonds1

About [(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone

[(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone (PubChem CID 177205273) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is [(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone.

Molecular Properties

Compound Name[(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone
PubChem CID177205273
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name[(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone
SMILESC[C@H]1OCc2c3c(nc(N)c21)CN[C@@H](C(=O)N1CCC[C@@H]2OCc4nc(C(F)(F)F)ccc4[C@@H]21)C3
InChIInChI=1S/C24H26F3N5O3/c1-11-20-14(9-34-11)13-7-15(29-8-16(13)31-22(20)28)23(33)32-6-2-3-18-21(32)12-4-5-19(24(25,26)27)30-17(12)10-35-18/h4-5,11,15,18,21,29H,2-3,6-10H2,1H3,(H2,28,31)/t11-,15-,18+,21+/m1/s1
InChIKeyCHTBYLSMIDFBIF-VVPMSBQWSA-N
XLogP2.95
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone?
The IUPAC name of [(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone (CID 177205273) is [(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone.
What is the SMILES notation for [(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone?
The canonical SMILES for [(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone is C[C@H]1OCc2c3c(nc(N)c21)CN[C@@H](C(=O)N1CCC[C@@H]2OCc4nc(C(F)(F)F)ccc4[C@@H]21)C3.
What is the InChIKey of [(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone?
The InChIKey is CHTBYLSMIDFBIF-VVPMSBQWSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-11-20-14(9-34-11)13-7-15(29-8-16(13)31-22(20)28)23(33)32-6-2-3-18-21(32)12-4-5-19(24(25,26)27)30-17(12)10-35-18/h4-5,11,15,18,21,29H,2-3,6-10H2,1H3,(H2,28,31)/t11-,15-,18+,21+/m1/s1.
What are the key properties of [(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone?
[(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone has a molecular weight of 489.50 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,8R)-4-amino-3-methyl-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(2S,7S)-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-trien-3-yl]methanone is sourced from PubChem (CID 177205273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).