5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide

C33H35F3N4O4 — CID 144764340

IUPAC5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCCN1CCC(Cc2ccc(C(N)=O)cc2C(F)(F)F)CC1.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1
InChIInChI=1S/C17H14N2O3.C16H21F3N2O/c20-16-4-2-10-14(5-6-18-17(10)19-16)21-9-1-3-13-11(7-9)12-8-15(12)22-13;1-2-21-7-5-11(6-8-21)9-12-3-4-13(15(20)22)10-14(12)16(17,18)19/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);3-4,10-11H,2,5-9H2,1H3,(H2,20,22)
InChIKeyXXOBEEXHJPJZJH-UHFFFAOYSA-N
MW608.66 g/mol
LogP6.09
Rot. Bonds6

About 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide

5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 144764340) has the molecular formula C33H35F3N4O4 and a molecular weight of 608.66 g/mol. Its IUPAC name is 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID144764340
Molecular FormulaC33H35F3N4O4
Molecular Weight608.66 g/mol
Exact Mass608.26
IUPAC Name5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCCN1CCC(Cc2ccc(C(N)=O)cc2C(F)(F)F)CC1.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1
InChIInChI=1S/C17H14N2O3.C16H21F3N2O/c20-16-4-2-10-14(5-6-18-17(10)19-16)21-9-1-3-13-11(7-9)12-8-15(12)22-13;1-2-21-7-5-11(6-8-21)9-12-3-4-13(15(20)22)10-14(12)16(17,18)19/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);3-4,10-11H,2,5-9H2,1H3,(H2,20,22)
InChIKeyXXOBEEXHJPJZJH-UHFFFAOYSA-N
XLogP6.09
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.66
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide (CID 144764340) is 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide is CCN1CCC(Cc2ccc(C(N)=O)cc2C(F)(F)F)CC1.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1.
What is the InChIKey of 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is XXOBEEXHJPJZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3.C16H21F3N2O/c20-16-4-2-10-14(5-6-18-17(10)19-16)21-9-1-3-13-11(7-9)12-8-15(12)22-13;1-2-21-7-5-11(6-8-21)9-12-3-4-13(15(20)22)10-14(12)16(17,18)19/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);3-4,10-11H,2,5-9H2,1H3,(H2,20,22).
What are the key properties of 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide?
5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 608.66 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 144764340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).