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

C34H42F3N5O4 — CID 144764267

IUPAC5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde
SMILESCN.CNC.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1.O=Cc1ccc(CN2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H14N2O3.C14H16F3NO.C2H7N.CH5N/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)13-8-11(10-19)4-5-12(13)9-18-6-2-1-3-7-18;1-3-2;1-2/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);4-5,8,10H,1-3,6-7,9H2;3H,1-2H3;2H2,1H3
InChIKeyYNKQBHAEMLKLJJ-UHFFFAOYSA-N
MW641.74 g/mol
LogP5.92
Rot. Bonds5

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

5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde (PubChem CID 144764267) has the molecular formula C34H42F3N5O4 and a molecular weight of 641.74 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;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde
PubChem CID144764267
Molecular FormulaC34H42F3N5O4
Molecular Weight641.74 g/mol
Exact Mass641.32
IUPAC Name5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde
SMILESCN.CNC.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1.O=Cc1ccc(CN2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H14N2O3.C14H16F3NO.C2H7N.CH5N/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)13-8-11(10-19)4-5-12(13)9-18-6-2-1-3-7-18;1-3-2;1-2/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);4-5,8,10H,1-3,6-7,9H2;3H,1-2H3;2H2,1H3
InChIKeyYNKQBHAEMLKLJJ-UHFFFAOYSA-N
XLogP5.92
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.74
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde 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;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde (CID 144764267) is 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde.
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;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde is CN.CNC.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1.O=Cc1ccc(CN2CCCCC2)c(C(F)(F)F)c1.
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;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde?
The InChIKey is YNKQBHAEMLKLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3.C14H16F3NO.C2H7N.CH5N/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)13-8-11(10-19)4-5-12(13)9-18-6-2-1-3-7-18;1-3-2;1-2/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);4-5,8,10H,1-3,6-7,9H2;3H,1-2H3;2H2,1H3.
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;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde?
5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde has a molecular weight of 641.74 g/mol, XLogP of 5.92, 5 rotatable bonds, 3 hydrogen bond donors, and 8 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;methanamine;N-methylmethanamine;4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 144764267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).