5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C26H20F3N3O4 — CID 147400964

IUPAC5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C(Cc1ccc(C(F)(F)F)cn1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12
InChIInChI=1S/C26H20F3N3O4/c27-26(28,29)13-1-2-14(31-12-13)9-15(33)10-19-23-18-11-16(3-5-20(18)36-24(19)23)35-21-7-8-30-25-17(21)4-6-22(34)32-25/h1-3,5,7-8,11-12,19,23-24H,4,6,9-10H2,(H,30,32,34)/t19-,23-,24+/m0/s1
InChIKeyDOSWBGUMOQCLFV-WDJPJFJCSA-N
MW495.46 g/mol
LogP4.85
Rot. Bonds6

About 5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 147400964) has the molecular formula C26H20F3N3O4 and a molecular weight of 495.46 g/mol. Its IUPAC name is 5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID147400964
Molecular FormulaC26H20F3N3O4
Molecular Weight495.46 g/mol
Exact Mass495.14
IUPAC Name5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C(Cc1ccc(C(F)(F)F)cn1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12
InChIInChI=1S/C26H20F3N3O4/c27-26(28,29)13-1-2-14(31-12-13)9-15(33)10-19-23-18-11-16(3-5-20(18)36-24(19)23)35-21-7-8-30-25-17(21)4-6-22(34)32-25/h1-3,5,7-8,11-12,19,23-24H,4,6,9-10H2,(H,30,32,34)/t19-,23-,24+/m0/s1
InChIKeyDOSWBGUMOQCLFV-WDJPJFJCSA-N
XLogP4.85
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 147400964) is 5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C(Cc1ccc(C(F)(F)F)cn1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.
What is the InChIKey of 5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is DOSWBGUMOQCLFV-WDJPJFJCSA-N. The full InChI is InChI=1S/C26H20F3N3O4/c27-26(28,29)13-1-2-14(31-12-13)9-15(33)10-19-23-18-11-16(3-5-20(18)36-24(19)23)35-21-7-8-30-25-17(21)4-6-22(34)32-25/h1-3,5,7-8,11-12,19,23-24H,4,6,9-10H2,(H,30,32,34)/t19-,23-,24+/m0/s1.
What are the key properties of 5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 495.46 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,1aR,6bR)-1-[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 147400964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).