5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide

C33H38F3N5O4 — CID 144764358

About 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide

5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 144764358) has the molecular formula C33H38F3N5O4 and a molecular weight of 625.69 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;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide
• PubChem CID: 144764358
• Molecular Formula: C33H38F3N5O4
• Molecular Weight: 625.69 g/mol
• Exact Mass: 625.29
• IUPAC Name: 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide
• SMILES: CNC.NC(=O)c1ccc(CN2CCCCC2)c(C(F)(F)F)c1.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1
• InChI: InChI=1S/C17H14N2O3.C14H17F3N2O.C2H7N/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;15-14(16,17)12-8-10(13(18)20)4-5-11(12)9-19-6-2-1-3-7-19;1-3-2/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);4-5,8H,1-3,6-7,9H2,(H2,18,20);3H,1-2H3
• InChIKey: LAQDNFUVMWCKEP-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 118.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.69
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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;N-methylmethanamine;4-(piperidin-1-ylmethyl)-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;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide (CID 144764358) is 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-methylmethanamine;4-(piperidin-1-ylmethyl)-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;N-methylmethanamine;4-(piperidin-1-ylmethyl)-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;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide is CNC.NC(=O)c1ccc(CN2CCCCC2)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;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide?

The InChIKey is LAQDNFUVMWCKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3.C14H17F3N2O.C2H7N/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;15-14(16,17)12-8-10(13(18)20)4-5-11(12)9-19-6-2-1-3-7-19;1-3-2/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);4-5,8H,1-3,6-7,9H2,(H2,18,20);3H,1-2H3.

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;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide?

5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 625.69 g/mol, XLogP of 5.63, 5 rotatable bonds, 3 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;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 144764358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).