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

C32H35F3N4O4 — CID 144764236

IUPAC5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;formamide;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCc1ccc(CN2CCCCC2)c(C(F)(F)F)c1.NC=O.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1
InChIInChI=1S/C17H14N2O3.C14H18F3N.CH3NO/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;1-11-5-6-12(13(9-11)14(15,16)17)10-18-7-3-2-4-8-18;2-1-3/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);5-6,9H,2-4,7-8,10H2,1H3;1H,(H2,2,3)
InChIKeyQVSNBYAUKZCISK-UHFFFAOYSA-N
MW596.65 g/mol
LogP6.11
Rot. Bonds4

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

5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;formamide;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 144764236) has the molecular formula C32H35F3N4O4 and a molecular weight of 596.65 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;formamide;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;formamide;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID144764236
Molecular FormulaC32H35F3N4O4
Molecular Weight596.65 g/mol
Exact Mass596.26
IUPAC Name5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;formamide;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCc1ccc(CN2CCCCC2)c(C(F)(F)F)c1.NC=O.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1
InChIInChI=1S/C17H14N2O3.C14H18F3N.CH3NO/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;1-11-5-6-12(13(9-11)14(15,16)17)10-18-7-3-2-4-8-18;2-1-3/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);5-6,9H,2-4,7-8,10H2,1H3;1H,(H2,2,3)
InChIKeyQVSNBYAUKZCISK-UHFFFAOYSA-N
XLogP6.11
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.65
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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;formamide;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;formamide;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine (CID 144764236) is 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;formamide;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine.
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;formamide;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;formamide;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine is Cc1ccc(CN2CCCCC2)c(C(F)(F)F)c1.NC=O.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;formamide;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is QVSNBYAUKZCISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3.C14H18F3N.CH3NO/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;1-11-5-6-12(13(9-11)14(15,16)17)10-18-7-3-2-4-8-18;2-1-3/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);5-6,9H,2-4,7-8,10H2,1H3;1H,(H2,2,3).
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;formamide;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine?
5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;formamide;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 596.65 g/mol, XLogP of 6.11, 4 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;formamide;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 144764236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).