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

C32H31F6N5O4 — CID 144764347

IUPAC5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(CN2CCN(CC(F)(F)F)CC2)c(C(F)(F)F)c1.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1
InChIInChI=1S/C17H14N2O3.C15H17F6N3O/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;16-14(17,18)9-24-5-3-23(4-6-24)8-11-2-1-10(13(22)25)7-12(11)15(19,20)21/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);1-2,7H,3-6,8-9H2,(H2,22,25)
InChIKeyNCGILZHAUCIHPT-UHFFFAOYSA-N
MW663.62 g/mol
LogP5.49
Rot. Bonds6

About 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[[4-(2,2,2-trifluoroethyl)piperazin-1-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-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 144764347) has the molecular formula C32H31F6N5O4 and a molecular weight of 663.62 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-[[4-(2,2,2-trifluoroethyl)piperazin-1-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-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID144764347
Molecular FormulaC32H31F6N5O4
Molecular Weight663.62 g/mol
Exact Mass663.23
IUPAC Name5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(CN2CCN(CC(F)(F)F)CC2)c(C(F)(F)F)c1.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1
InChIInChI=1S/C17H14N2O3.C15H17F6N3O/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;16-14(17,18)9-24-5-3-23(4-6-24)8-11-2-1-10(13(22)25)7-12(11)15(19,20)21/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);1-2,7H,3-6,8-9H2,(H2,22,25)
InChIKeyNCGILZHAUCIHPT-UHFFFAOYSA-N
XLogP5.49
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.62
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)benzamide 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 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[[4-(2,2,2-trifluoroethyl)piperazin-1-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-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)benzamide (CID 144764347) is 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[[4-(2,2,2-trifluoroethyl)piperazin-1-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-[[4-(2,2,2-trifluoroethyl)piperazin-1-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-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(CN2CCN(CC(F)(F)F)CC2)c(C(F)(F)F)c1.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-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NCGILZHAUCIHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3.C15H17F6N3O/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;16-14(17,18)9-24-5-3-23(4-6-24)8-11-2-1-10(13(22)25)7-12(11)15(19,20)21/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);1-2,7H,3-6,8-9H2,(H2,22,25).
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-[[4-(2,2,2-trifluoroethyl)piperazin-1-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-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 663.62 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 144764347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).